StartDate: 2018-10-17 19:26:51+00:00 CommitSHA: f78463afa833af4f02e1433b588fdbe6473f54e0 CommitTime: 2018-10-17 16:14:37 +0200 CommitAuthor: Matthias Krack CommitSubject: Clean config files and update some arch files ========== Copying Changed Files ========== sending incremental file list INSTALL.md arch/Linux-x86-64-gfortran-regtest.pdbg arch/Linux-x86-64-gfortran-regtest.psmp arch/Linux-x86-64-gfortran-regtest.sdbg arch/Linux-x86-64-gfortran-regtest.ssmp arch/Linux-x86-64-gfortran.popt arch/Linux-x86-64-gfortran.psmp arch/Linux-x86-64-gfortran.sdbg arch/Linux-x86-64-gfortran.sopt arch/Linux-x86-64-intel-minimal.popt arch/Linux-x86-64-intel-minimal.psmp arch/Linux-x86-64-intel-regtest.popt arch/Linux-x86-64-intel-regtest.psmp src/almo_scf.F src/almo_scf_methods.F src/almo_scf_optimizer.F src/almo_scf_qs.F src/almo_scf_types.F src/force_env_methods.F src/input_cp2k_dft.F src/mscfg_methods.F src/optimize_embedding_potential.F src/start/cp2k.F src/start/cp2k_runs.F tests/ATOM/regtest-2/TEST_FILES tests/ATOM/regtest-pseudo/TEST_FILES tests/DFTB/regtest-nonscc/TEST_FILES tests/DFTB/regtest-scc/TEST_FILES tests/Fist/regtest-1-4/TEST_FILES tests/Fist/regtest-10/TEST_FILES tests/Fist/regtest-12/TEST_FILES tests/Fist/regtest-15/TEST_FILES tests/Fist/regtest-2/TEST_FILES tests/Fist/regtest-4/TEST_FILES tests/Fist/regtest-6/TEST_FILES tests/Fist/regtest-7-1/TEST_FILES tests/Fist/regtest-excl-R/TEST_FILES tests/Fist/regtest-field/TEST_FILES tests/Fist/regtest-opt/TEST_FILES tests/NEB/regtest-4/TEST_FILES tests/Pimd/TEST_FILES tests/QMMM/QS/regtest-1/TEST_FILES tests/QMMM/QS/regtest-2-erf/TEST_FILES tests/QMMM/QS/regtest-2-swave/TEST_FILES tests/QMMM/QS/regtest-3/TEST_FILES tests/QMMM/QS/regtest-4/TEST_FILES tests/QMMM/QS/regtest-cdft/TEST_FILES tests/QMMM/QS/regtest-lrigpw/TEST_FILES tests/QMMM/QS/regtest-shell-pol/TEST_FILES tests/QS/regtest-admm-1/TEST_FILES tests/QS/regtest-admm-2/TEST_FILES tests/QS/regtest-admm-3/TEST_FILES tests/QS/regtest-admm-dm/TEST_FILES tests/QS/regtest-almo-2/TEST_FILES tests/QS/regtest-almo-2/TEST_FILES_RESET tests/QS/regtest-almo-2/s-almo-no-deloc.inp tests/QS/regtest-almo-md/TEST_FILES tests/QS/regtest-almo-strong/TEST_FILES tests/QS/regtest-as/TEST_FILES tests/QS/regtest-cdft-1/TEST_FILES tests/QS/regtest-cdft-2/TEST_FILES tests/QS/regtest-cdft-3-1/TEST_FILES tests/QS/regtest-cdft-3/TEST_FILES tests/QS/regtest-cdft-4-1/TEST_FILES tests/QS/regtest-cdft-4-2/TEST_FILES tests/QS/regtest-cdft-4-3/TEST_FILES tests/QS/regtest-cdft-5/TEST_FILES tests/QS/regtest-cdft-diag/TEST_FILES tests/QS/regtest-chi-1/TEST_FILES tests/QS/regtest-dft-vdw-corr-1/TEST_FILES tests/QS/regtest-dft-vdw-corr-2/TEST_FILES tests/QS/regtest-dft-vdw-corr-3/TEST_FILES tests/QS/regtest-dm-ls-scf-1/TEST_FILES tests/QS/regtest-dm-ls-scf-3/TEST_FILES tests/QS/regtest-double-hybrid-1/TEST_FILES tests/QS/regtest-elpa-2/TEST_FILES tests/QS/regtest-elpa/TEST_FILES tests/QS/regtest-embed/TEST_FILES tests/QS/regtest-epr-1/TEST_FILES tests/QS/regtest-epr-2/TEST_FILES tests/QS/regtest-gapw-1/TEST_FILES tests/QS/regtest-gapw-4/TEST_FILES tests/QS/regtest-gapw/TEST_FILES tests/QS/regtest-gpw-1/TEST_FILES tests/QS/regtest-gpw-2-1/TEST_FILES tests/QS/regtest-gpw-2-2/TEST_FILES tests/QS/regtest-gpw-2-3/TEST_FILES tests/QS/regtest-gpw-3/TEST_FILES tests/QS/regtest-gpw-4/TEST_FILES tests/QS/regtest-gpw-5/TEST_FILES tests/QS/regtest-gpw-6-2/TEST_FILES tests/QS/regtest-gpw-7/TEST_FILES tests/QS/regtest-gpw-8/TEST_FILES tests/QS/regtest-gpw-9/TEST_FILES tests/QS/regtest-gw-cubic/TEST_FILES tests/QS/regtest-gw-ic-model/TEST_FILES tests/QS/regtest-gw/TEST_FILES tests/QS/regtest-hfx-block/TEST_FILES tests/QS/regtest-hfx-stress/TEST_FILES tests/QS/regtest-hfx/TEST_FILES tests/QS/regtest-hirshfeld/TEST_FILES tests/QS/regtest-hole-funct/TEST_FILES tests/QS/regtest-hybrid-1/TEST_FILES tests/QS/regtest-hybrid-2/TEST_FILES tests/QS/regtest-hybrid-3/TEST_FILES tests/QS/regtest-kg/TEST_FILES tests/QS/regtest-kind/TEST_FILES tests/QS/regtest-kp-1/TEST_FILES tests/QS/regtest-kp-2/TEST_FILES tests/QS/regtest-kp-3/TEST_FILES tests/QS/regtest-libxc/TEST_FILES tests/QS/regtest-linearscaling/TEST_FILES tests/QS/regtest-lrigpw-2/TEST_FILES tests/QS/regtest-lrigpw/TEST_FILES tests/QS/regtest-ls-rtp/TEST_FILES tests/QS/regtest-lvlshift/TEST_FILES tests/QS/regtest-md-extrap/TEST_FILES tests/QS/regtest-md-lgvregion/TEST_FILES tests/QS/regtest-meta/TEST_FILES tests/QS/regtest-mom-1/TEST_FILES tests/QS/regtest-mom-2/TEST_FILES tests/QS/regtest-mp2-4/TEST_FILES tests/QS/regtest-mp2-grad/TEST_FILES tests/QS/regtest-mp2-stress/TEST_FILES tests/QS/regtest-nmr-4/TEST_FILES tests/QS/regtest-nmr-5/TEST_FILES tests/QS/regtest-nmr-6/TEST_FILES tests/QS/regtest-optbas/TEST_FILES tests/QS/regtest-ot-1-vib/TEST_FILES tests/QS/regtest-ot-1/TEST_FILES tests/QS/regtest-ot-2/TEST_FILES tests/QS/regtest-ot-refine-2/TEST_FILES tests/QS/regtest-ot-refine/TEST_FILES tests/QS/regtest-ot/TEST_FILES 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"tools/docker/test_coverage-sdbg" skipping non-regular file "tools/docker/test_farming" skipping non-regular file "tools/docker/test_minimal" skipping non-regular file "tools/docker/test_pdbg" skipping non-regular file "tools/docker/test_popt" skipping non-regular file "tools/docker/test_psmp" skipping non-regular file "tools/docker/test_sdbg" skipping non-regular file "tools/docker/test_sopt" skipping non-regular file "tools/docker/test_ssmp" skipping non-regular file "tools/docker/test_valgrind-pdbg" skipping non-regular file "tools/docker/test_valgrind-sdbg" tests/SE/regtest-3-2/TEST_FILES tests/SE/regtest-3-4/TEST_FILES tests/TMC/regtest/TEST_FILES tools/dashboard/dashboard.conf tools/regtesting/do_regtest tools/regtesting/regtest_conf/Linux-x86-64-gfortran-regtest.pdbg.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran-regtest.psmp.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran-regtest.sdbg.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran-regtest.ssmp.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran-static.sopt.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran-static.ssmp.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran.pdbg.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran.popt.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran.psmp.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran.sdbg.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran.sopt.conf tools/regtesting/regtest_conf/Linux-x86-64-gfortran.ssmp.conf tools/regtesting/regtest_conf/Linux-x86-64-intel-regtest.popt.conf tools/regtesting/regtest_conf/Linux-x86-64-intel-regtest.psmp.conf sent 2,149,671 bytes received 4,590 bytes 1,436,174.00 bytes/sec total size is 193,783,167 speedup is 89.95 sending incremental file list .dockerignore Dockerfile README_FOR_DEVELOPERS README_FOR_USERS install_cp2k_toolchain.sh sent 56,134 bytes received 112 bytes 112,492.00 bytes/sec total size is 199,553 speedup is 3.55 ========== Updating Toolchain ========== WARNING: (./install_cp2k_toolchain.sh, line 298) No MPI installation detected on you system. Ignore this message if you are using Cray Linux Environment nvcc not found, disabling CUDA by default You have chosen to install GCC, therefore MPI libraries will have to be installed too Compiling with 32 processes. ==================== Installing binutils ==================== binutils-2.31.1 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing Lcov ==================== lcov-94eac0ee870e58630d8052dca1181b0cf802525f is already installed, skipping it. Step took 0.00 seconds. ==================== Installing Valgrind ==================== valgrind-3.12.0 is already installed, skipping it. Step took 0.00 seconds. Step took 0.00 seconds. ==================== Installing CMake ==================== cmake-3.11.2 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing GCC ==================== gcc-8.2.0 is already installed, skipping it. Step took 0.00 seconds. ==================== Getting proc arch info using OpenBLAS tools ==================== OpenBLAS-0.2.20.tar.gz: OK Checksum of OpenBLAS-0.2.20.tar.gz Ok OpenBLAS detected LIBCORE = haswell OpenBLAS detected ARCH = x86_64 ==================== Installing MPICH ==================== mpich-3.2.1 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing LAPACK ==================== lapack-3.8.0 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing OpenBLAS ==================== openblas-0.2.20 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing FFTW ==================== fftw-3.3.7 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing LIBINT ==================== libint-1.1.6 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing LIBXC ==================== libxc-4.0.3 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing libsmm ==================== libsmm is already installed, skipping it. Step took 0.00 seconds. ==================== Installing Libxsmm ==================== libxsmm-1.9.0 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing ScaLAPACK ==================== scalapack-2.0.2 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing ELPA ==================== elpa-2017.05.002 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing PT-Scotch ==================== scotch-6.0.0 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing ParMETIS ==================== parmetis-4.0.3 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing METIS ==================== METIS is installed together with ParMETIS Step took 0.00 seconds. ==================== Installing SuperLU_DIST ==================== superlu_dist-5.1.2 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing PEXSI ==================== pexsi_dist-0.10.2 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing QUIP ==================== quip_dist-cc83ceea5776c40fcb5ab224a25ab04d62175449 is already installed, skipping it. Step took 0.00 seconds. ==================== generating arch files ==================== arch files can be found in the /opt/cp2k-toolchain/install/arch subdirectory Wrote /opt/cp2k-toolchain/install/arch/local.sopt Wrote /opt/cp2k-toolchain/install/arch/local.sdbg Wrote /opt/cp2k-toolchain/install/arch/local.ssmp Wrote /opt/cp2k-toolchain/install/arch/local.popt Wrote /opt/cp2k-toolchain/install/arch/local.pdbg Wrote /opt/cp2k-toolchain/install/arch/local.psmp Wrote /opt/cp2k-toolchain/install/arch/local_warn.psmp Wrote /opt/cp2k-toolchain/install/arch/local_valgrind.sdbg Wrote /opt/cp2k-toolchain/install/arch/local_valgrind.pdbg Wrote /opt/cp2k-toolchain/install/arch/local_coverage.sdbg Wrote /opt/cp2k-toolchain/install/arch/local_coverage.pdbg ========================== usage ========================= Done! Now copy: cp /opt/cp2k-toolchain/install/arch/* to the cp2k/arch/ directory To use the installed tools and libraries and cp2k version compiled with it you will first need to execute at the prompt: source /opt/cp2k-toolchain/install/setup To build CP2K you should change directory: cd cp2k/ make -j 32 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp" arch files for GPU enabled CUDA versions are named "local_cuda.*" arch files for valgrind versions are named "local_valgrind.*" arch files for coverage versions are named "local_coverage.*" ========== Compiling CP2K ========== Discovering programs ... Removing stale archives for sopt ... Resolving dependencies for sopt ... /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp2k_info.F cp2k_info.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kgrid.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2khfxbase.a Updating archive /opt/cp2k-master/lib/local/sopt/libmicsmm.a Updating archive /opt/cp2k-master/lib/local/sopt/libclsmm.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kacc.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kaccmic.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kaccopencl.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kmpiwrap.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kbase.a /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/opt/cp2k-master/src/' cp2k_info.F90 ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kgrid.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kaccmic.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kmpiwrap.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2khfxbase.aar: creating /opt/cp2k-master/lib/local/sopt/libcp2kbase.a ar: creating /opt/cp2k-master/lib/local/sopt/libclsmm.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kaccopencl.a ar: creating /opt/cp2k-master/lib/local/sopt/libmicsmm.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kacc.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kminimax.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kfft.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrdata.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kminimax.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kfft.a ar: creating 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/opt/cp2k-master/lib/local/sopt/libcp2kao.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kinput.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrbblock.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/topology_pdb.F topology_pdb.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/header.F header.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kpw.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kpw.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2ksubsys.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kxc.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrops.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2ksubsys.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kxc.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrops.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrmm.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrmm.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsr.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/almo_scf_types.F almo_scf_types.F90 ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsr.a /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/opt/cp2k-master/src/' topology_pdb.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"header.F\"" -I'/opt/cp2k-master/src/' header.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrx.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrx.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrarnoldi.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrarnoldi.a /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/opt/cp2k-master/src/' almo_scf_types.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kdbcsr_tensor.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kdbcsr_tensor.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_dft.F input_cp2k_dft.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/opt/cp2k-master/src/' input_cp2k_dft.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/almo_scf_methods.F almo_scf_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/opt/cp2k-master/src/' almo_scf_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_environment_types.F qs_environment_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/opt/cp2k-master/src/' qs_environment_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_types.F qmmm_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_potentials.F pao_potentials.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_linpot_full.F pao_linpot_full.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_collocate_density.F qs_collocate_density.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_diis.F qs_diis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/preconditioner.F preconditioner.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_vxc_atom.F qs_vxc_atom.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_neighbor_lists.F qs_neighbor_lists.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp_dbcsr_output.F cp_dbcsr_output.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_dftb3_methods.F qs_dftb3_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/surface_dipole.F surface_dipole.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/moments_utils.F moments_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/dkh_main.F dkh_main.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/hfx_screening_methods.F hfx_screening_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/hfx_communication.F hfx_communication.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ks_atom.F qs_ks_atom.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_core_energies.F qs_core_energies.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/hartree_local_methods.F hartree_local_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/lri_forces.F lri_forces.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_sccs.F qs_sccs.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/efield_utils.F efield_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp_ddapc_forces.F cp_ddapc_forces.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_gspace_mixing.F qs_gspace_mixing.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_operators_ao.F qs_operators_ao.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pw_env_methods.F pw_env_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/lri_environment_init.F lri_environment_init.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/almo_scf_env_methods.F almo_scf_env_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_external_density.F qs_external_density.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_external_potential.F qs_external_potential.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/se_core_core.F se_core_core.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/basis_set_output.F basis_set_output.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mao_methods.F mao_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_loc_utils.F qs_loc_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_commutators.F qs_commutators.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_epr_hyp.F qs_epr_hyp.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/wannier_states.F wannier_states.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/rpa_im_time.F rpa_im_time.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2_eri.F mp2_eri.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/rpa_axk_util.F rpa_axk_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/et_coupling.F et_coupling.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/rt_propagation_forces.F rt_propagation_forces.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/optimize_dmfet_potential.F optimize_dmfet_potential.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_init.F qmmm_init.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/emd/rt_hfx_utils.F rt_hfx_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_tddfpt_types.F qs_tddfpt_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/opt/cp2k-master/src/' qmmm_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/opt/cp2k-master/src/' pao_potentials.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/opt/cp2k-master/src/' qs_diis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/opt/cp2k-master/src/' hfx_screening_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/opt/cp2k-master/src/' preconditioner.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/opt/cp2k-master/src/' qs_ks_qmmm_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/opt/cp2k-master/src/' pao_linpot_rotinv.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/opt/cp2k-master/src/' qs_rho_atom_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/opt/cp2k-master/src/' cp_dbcsr_output.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/opt/cp2k-master/src/' pao_linpot_full.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/opt/cp2k-master/src/' cp_ddapc_forces.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/opt/cp2k-master/src/' qs_core_energies.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/opt/cp2k-master/src/' qs_vxc_atom.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/opt/cp2k-master/src/' dkh_main.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/opt/cp2k-master/src/' se_fock_matrix_coulomb.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/opt/cp2k-master/src/' qs_dftb3_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/opt/cp2k-master/src/' lri_forces.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/opt/cp2k-master/src/' se_fock_matrix_exchange.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/opt/cp2k-master/src/' qs_integrate_potential_product.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/opt/cp2k-master/src/' mao_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/opt/cp2k-master/src/' qs_linres_nmr_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/opt/cp2k-master/src/' et_coupling.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/opt/cp2k-master/src/' qs_neighbor_lists.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/opt/cp2k-master/src/' qs_sccs.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/opt/cp2k-master/src/' basis_set_output.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/opt/cp2k-master/src/' qs_collocate_density.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/opt/cp2k-master/src/' hfx_communication.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/opt/cp2k-master/src/emd/' rt_hfx_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/opt/cp2k-master/src/' efield_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/opt/cp2k-master/src/' surface_dipole.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/opt/cp2k-master/src/' xc_adiabatic_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/opt/cp2k-master/src/' qs_commutators.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/opt/cp2k-master/src/' qs_operators_ao.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/opt/cp2k-master/src/' hartree_local_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/opt/cp2k-master/src/' qs_cdft_scf_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/opt/cp2k-master/src/' qs_external_density.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/opt/cp2k-master/src/' lri_environment_init.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/opt/cp2k-master/src/' qs_linres_epr_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/opt/cp2k-master/src/' optimize_dmfet_potential.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/opt/cp2k-master/src/' qs_ks_atom.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"rpa_axk_util.F\"" -I'/opt/cp2k-master/src/' rpa_axk_util.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/opt/cp2k-master/src/' qs_tddfpt_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/opt/cp2k-master/src/' se_core_core.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/opt/cp2k-master/src/' qs_loc_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/opt/cp2k-master/src/' rt_propagation_forces.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/opt/cp2k-master/src/' qs_integrate_potential_single.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/opt/cp2k-master/src/' qs_fb_distribution_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/opt/cp2k-master/src/' moments_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/opt/cp2k-master/src/' rpa_im_time.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/opt/cp2k-master/src/' qs_dispersion_pairpot.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/opt/cp2k-master/src/' wannier_states.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/opt/cp2k-master/src/' qs_gspace_mixing.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/opt/cp2k-master/src/' qmmm_init.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/opt/cp2k-master/src/' almo_scf_env_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/opt/cp2k-master/src/' qs_external_potential.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/opt/cp2k-master/src/' pw_env_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/opt/cp2k-master/src/' qs_epr_hyp.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/opt/cp2k-master/src/' mp2_eri.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_moments.F qs_moments.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_post_dftb.F qs_scf_post_dftb.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_loc_molecules.F qs_loc_molecules.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/fist_efield_methods.F fist_efield_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/opt/cp2k-master/src/' fist_efield_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/opt/cp2k-master/src/' qs_moments.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_post_dftb.F\"" -I'/opt/cp2k-master/src/' qs_scf_post_dftb.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/opt/cp2k-master/src/' qs_loc_molecules.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmmx_types.F qmmmx_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/opt/cp2k-master/src/' qmmmx_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ot.F qs_ot.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/opt/cp2k-master/src/' qs_scf_block_davidson.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/opt/cp2k-master/src/' qs_ot.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/dft_plus_u.F dft_plus_u.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_elec_field.F qs_elec_field.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_fermi_contact.F qs_fermi_contact.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_spin_orbit.F qs_spin_orbit.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/se_core_matrix.F se_core_matrix.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/population_analyses.F population_analyses.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/opt/cp2k-master/src/' qs_spin_orbit.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/opt/cp2k-master/src/' qs_elec_field.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/opt/cp2k-master/src/' se_core_matrix.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/opt/cp2k-master/src/' population_analyses.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/opt/cp2k-master/src/' qs_fermi_contact.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/opt/cp2k-master/src/' qs_core_hamiltonian.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/opt/cp2k-master/src/' dft_plus_u.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/force_env_types.F force_env_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp_ddapc_util.F cp_ddapc_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/fist_force.F fist_force.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/opt/cp2k-master/src/' force_env_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/opt/cp2k-master/src/' cp_ddapc_util.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/opt/cp2k-master/src/' fist_force.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_fb_env_methods.F qs_fb_env_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/opt/cp2k-master/src/' qs_fb_env_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ot_minimizer.F qs_ot_minimizer.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/opt/cp2k-master/src/' qs_ot_minimizer.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_util.F qmmm_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/constraint_fxd.F constraint_fxd.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion_utils.F motion_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/metadynamics_utils.F metadynamics_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mixed_cdft_utils.F mixed_cdft_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/constraint_vsite.F constraint_vsite.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/external_potential_methods.F external_potential_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/environment.F environment.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/cell_opt_types.F cell_opt_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/neb_types.F neb_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_restart_force_eval.F input_restart_force_eval.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermal_region_utils.F thermal_region_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_types.F mc_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/opt/cp2k-master/src/' constraint_vsite.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/opt/cp2k-master/src/' qmmm_util.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/opt/cp2k-master/src/' constraint_fxd.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/opt/cp2k-master/src/motion/' neb_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/opt/cp2k-master/src/' external_potential_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/opt/cp2k-master/src/motion/' cell_opt_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/opt/cp2k-master/src/' mixed_cdft_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/opt/cp2k-master/src/' motion_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/opt/cp2k-master/src/' input_restart_force_eval.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"environment.F\"" -I'/opt/cp2k-master/src/' environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/opt/cp2k-master/src/' metadynamics_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/opt/cp2k-master/src/motion/' thermal_region_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_param_exp.F pao_param_exp.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_param_gth.F pao_param_gth.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_ml_descriptor.F pao_ml_descriptor.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/opt/cp2k-master/src/' pao_ml_descriptor.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/opt/cp2k-master/src/' pao_param_exp.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/opt/cp2k-master/src/' pao_param_gth.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/hfx_derivatives.F hfx_derivatives.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/hfx_energy_potential.F hfx_energy_potential.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/opt/cp2k-master/src/' hfx_derivatives.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mao_optimizer.F mao_optimizer.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/opt/cp2k-master/src/' hfx_energy_potential.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/opt/cp2k-master/src/' mao_optimizer.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_integrate_potential.F qs_integrate_potential.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/opt/cp2k-master/src/' qs_integrate_potential.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/neb_md_utils.F neb_md_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/opt/cp2k-master/src/motion/' neb_md_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/gopt_f_types.F gopt_f_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/opt/cp2k-master/src/motion/' gopt_f_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_param_linpot.F pao_param_linpot.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/opt/cp2k-master/src/' pao_param_linpot.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/colvar_methods.F colvar_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/constraint_3x3.F constraint_3x3.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/constraint_4x6.F constraint_4x6.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mao_basis.F mao_basis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mao_wfn_analysis.F mao_wfn_analysis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/opt/cp2k-master/src/' constraint_4x6.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/opt/cp2k-master/src/' constraint_3x3.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/cg_utils.F cg_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/opt/cp2k-master/src/' se_fock_matrix_dbg.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/opt/cp2k-master/src/' mao_basis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/opt/cp2k-master/src/' qs_tddfpt2_subgroups.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/opt/cp2k-master/src/' colvar_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/opt/cp2k-master/src/' mao_wfn_analysis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/opt/cp2k-master/src/motion/' cg_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' thermostat_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmmx_util.F qmmmx_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_se_energy.F qmmm_se_energy.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_se_forces.F qmmm_se_forces.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp_ddapc.F cp_ddapc.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/opt/cp2k-master/src/' qmmmx_util.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/opt/cp2k-master/src/' cp_ddapc.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/opt/cp2k-master/src/' qmmm_se_energy.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/opt/cp2k-master/src/' qmmm_se_forces.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/opt/cp2k-master/src/' qs_dftb_coulomb.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/se_fock_matrix.F se_fock_matrix.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/opt/cp2k-master/src/' se_fock_matrix.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_environment_types.F mc_environment_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_misc.F mc_misc.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_move_control.F mc_move_control.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/minbas_methods.F minbas_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_environment_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_misc.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_move_control.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/opt/cp2k-master/src/' minbas_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/lri_environment_methods.F lri_environment_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/ri_environment_methods.F ri_environment_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/admm_dm_methods.F admm_dm_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/admm_methods.F admm_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_image_charge.F qmmm_image_charge.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/optimize_embedding_potential.F optimize_embedding_potential.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_loc_methods.F qs_loc_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_resp.F qs_resp.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xray_diffraction.F xray_diffraction.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/molecular_states.F molecular_states.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/stm_images.F stm_images.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/et_coupling_proj.F et_coupling_proj.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ot_scf.F qs_ot_scf.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/opt/cp2k-master/src/' admm_dm_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/opt/cp2k-master/src/' qs_rho0_ggrid.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/opt/cp2k-master/src/' xray_diffraction.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/opt/cp2k-master/src/' ri_environment_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/opt/cp2k-master/src/' qs_resp.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/opt/cp2k-master/src/' et_coupling_proj.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/opt/cp2k-master/src/' qs_ot_eigensolver.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/opt/cp2k-master/src/' lri_environment_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/opt/cp2k-master/src/' admm_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/opt/cp2k-master/src/' qmmm_image_charge.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/opt/cp2k-master/src/' qs_loc_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/opt/cp2k-master/src/' stm_images.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/opt/cp2k-master/src/' molecular_states.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/opt/cp2k-master/src/' optimize_embedding_potential.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/opt/cp2k-master/src/' qs_ot_scf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_dispersion_utils.F qs_dispersion_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/opt/cp2k-master/src/' qs_dispersion_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_operators.F atom_operators.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/opt/cp2k-master/src/' qs_dftb_dispersion.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/opt/cp2k-master/src/' atom_operators.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_param.F pao_param.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_pdos.F qs_pdos.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/kg_environment.F kg_environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/opt/cp2k-master/src/' qs_pdos.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/opt/cp2k-master/src/' pao_param.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/opt/cp2k-master/src/' kg_environment.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/opt/cp2k-master/src/' minbas_wfn_analysis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/extended_system_init.F extended_system_init.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' al_system_dynamics.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' extended_system_dynamics.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' gle_system_dynamics.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' csvr_system_dynamics.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' extended_system_init.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_efield_local.F qs_efield_local.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_efield_berry.F qs_efield_berry.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_op.F qs_linres_op.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/opt/cp2k-master/src/' qs_efield_berry.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/opt/cp2k-master/src/' qs_efield_local.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/opt/cp2k-master/src/emd/' rt_delta_pulse.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/opt/cp2k-master/src/' qs_linres_op.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_rho0_methods.F qs_rho0_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/opt/cp2k-master/src/' qs_rho0_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_io.F pao_io.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/opt/cp2k-master/src/' pao_io.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/barostat_types.F barostat_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' barostat_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/lri_ks_methods.F lri_ks_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/opt/cp2k-master/src/' lri_ks_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' thermostat_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_atom_current.F qs_linres_atom_current.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/opt/cp2k-master/src/' qs_linres_nmr_shift.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/opt/cp2k-master/src/' qs_linres_epr_ownutils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/opt/cp2k-master/src/' qs_linres_atom_current.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_gapw_densities.F qs_gapw_densities.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/barostat_utils.F barostat_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/opt/cp2k-master/src/' qs_gapw_densities.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' input_cp2k_barostats.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' barostat_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/bse.F bse.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"bse.F\"" -I'/opt/cp2k-master/src/' bse.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_output.F qs_scf_output.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/opt/cp2k-master/src/' qs_scf_output.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/input_cp2k_md.F input_cp2k_md.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/opt/cp2k-master/src/motion/' input_cp2k_md.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc_pot_saop.F xc_pot_saop.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/opt/cp2k-master/src/' xc_pot_saop.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kthermostat.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kthermostat.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_ml.F pao_ml.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/opt/cp2k-master/src/' pao_ml.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/opt/cp2k-master/src/' xc_adiabatic_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/start/input_cp2k_motion.F input_cp2k_motion.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/simpar_methods.F simpar_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/opt/cp2k-master/src/motion/' simpar_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/opt/cp2k-master/src/start/' input_cp2k_motion.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_rho_methods.F qs_rho_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ks_utils.F qs_ks_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/opt/cp2k-master/src/' qs_rho_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/opt/cp2k-master/src/' lri_optimize_ri_basis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/opt/cp2k-master/src/' qs_ks_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/start/input_cp2k.F input_cp2k.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/opt/cp2k-master/src/start/' input_cp2k.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_fit.F atom_fit.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_admm_methods.F atom_admm_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_grb.F atom_grb.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/opt/cp2k-master/src/' atom_fit.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/opt/cp2k-master/src/' atom_admm_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/opt/cp2k-master/src/' atom_grb.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/kg_correction.F kg_correction.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_wf_history_methods.F qs_wf_history_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_methods.F qs_linres_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/opt/cp2k-master/src/' qs_update_s_mstruct.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/opt/cp2k-master/src/' kg_correction.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/opt/cp2k-master/src/' qs_wf_history_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/opt/cp2k-master/src/' qs_linres_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/colvar_utils.F colvar_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/restraint.F restraint.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/constraint_util.F constraint_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/constraint_clv.F constraint_clv.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/metadynamics.F metadynamics.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/opt/cp2k-master/src/' colvar_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/opt/cp2k-master/src/' constraint_util.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/opt/cp2k-master/src/' restraint.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/opt/cp2k-master/src/' constraint_clv.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/opt/cp2k-master/src/' metadynamics.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_current.F qs_linres_current.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/opt/cp2k-master/src/' qs_linres_current.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_dftb_matrices.F qs_dftb_matrices.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/opt/cp2k-master/src/' qs_dftb_matrices.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/topology_constraint_util.F topology_constraint_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/averages_types.F averages_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/constraint.F constraint.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/opt/cp2k-master/src/motion/' averages_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/opt/cp2k-master/src/' topology_constraint_util.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/opt/cp2k-master/src/' constraint.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_kind_orbitals.F atom_kind_orbitals.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_basis.F atom_basis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_pseudo.F atom_pseudo.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/opt/cp2k-master/src/' atom_basis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/opt/cp2k-master/src/' atom_pseudo.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/opt/cp2k-master/src/' atom_kind_orbitals.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/md_environment_types.F md_environment_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/opt/cp2k-master/src/motion/' md_environment_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/force_env_utils.F force_env_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/opt/cp2k-master/src/' force_env_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/free_energy_methods.F free_energy_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/integrator_utils.F integrator_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/wiener_process.F wiener_process.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/reftraj_util.F reftraj_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/glbopt_callback.F glbopt_callback.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/opt/cp2k-master/src/motion/' wiener_process.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/opt/cp2k-master/src/motion/' free_energy_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/opt/cp2k-master/src/motion/' reftraj_util.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/opt/cp2k-master/src/motion/' integrator_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/opt/cp2k-master/src/motion/' glbopt_callback.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/opt/cp2k-master/src/motion/' md_conserved_quantities.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_current_utils.F qs_linres_current_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/opt/cp2k-master/src/' qs_linres_polar_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/opt/cp2k-master/src/' qs_linres_issc_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/opt/cp2k-master/src/' qs_linres_current_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_energy.F atom_energy.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/opt/cp2k-master/src/' atom_energy.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mdctrl_methods.F mdctrl_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/opt/cp2k-master/src/motion/' mdctrl_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/topology.F topology.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"topology.F\"" -I'/opt/cp2k-master/src/' topology.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xas_restart.F xas_restart.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/opt/cp2k-master/src/' xas_restart.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/md_energies.F md_energies.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/opt/cp2k-master/src/motion/' md_energies.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp_subsys_methods.F cp_subsys_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/swarm/glbopt_master.F glbopt_master.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/opt/cp2k-master/src/swarm/' glbopt_master.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/opt/cp2k-master/src/' cp_subsys_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/swarm/swarm_master.F swarm_master.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/opt/cp2k-master/src/swarm/' swarm_master.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_subsys_methods.F qs_subsys_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/eip_environment.F eip_environment.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/sirius_interface.F sirius_interface.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/fist_environment.F fist_environment.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/embed_environment.F embed_environment.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mixed_environment.F mixed_environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/opt/cp2k-master/src/' qs_subsys_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/opt/cp2k-master/src/' embed_environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/opt/cp2k-master/src/' mixed_environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/opt/cp2k-master/src/' fist_environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/opt/cp2k-master/src/' eip_environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/opt/cp2k-master/src/' sirius_interface.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/embed_main.F embed_main.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/hirshfeld_methods.F hirshfeld_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/opt/cp2k-master/src/' embed_main.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mixed_main.F mixed_main.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/opt/cp2k-master/src/' hirshfeld_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/opt/cp2k-master/src/' mixed_main.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pwdft_environment.F pwdft_environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/opt/cp2k-master/src/' pwdft_environment.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom.F atom.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom.F\"" -I'/opt/cp2k-master/src/' atom.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/transport.F transport.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"transport.F\"" -I'/opt/cp2k-master/src/' transport.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/hfx_admm_utils.F hfx_admm_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2_direct_method.F mp2_direct_method.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2_ri_libint.F mp2_ri_libint.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2_cphf.F mp2_cphf.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/opt/cp2k-master/src/' hfx_admm_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/opt/cp2k-master/src/' mp2_ri_libint.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/opt/cp2k-master/src/' mp2_direct_method.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/opt/cp2k-master/src/' mp2_cphf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_cdft_utils.F qs_cdft_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mixed_cdft_methods.F mixed_cdft_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/opt/cp2k-master/src/' qs_cdft_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/opt/cp2k-master/src/' mixed_cdft_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/rtp_admm_methods.F rtp_admm_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_tddfpt2_methods.F qs_tddfpt2_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/opt/cp2k-master/src/' rtp_admm_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/opt/cp2k-master/src/' qs_tddfpt2_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/opt/cp2k-master/src/emd/' rt_propagation_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/opt/cp2k-master/src/' qmmm_gpw_energy.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/opt/cp2k-master/src/' qmmm_gpw_forces.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_cdft_methods.F qs_cdft_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp_control_utils.F cp_control_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/opt/cp2k-master/src/' qs_cdft_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/opt/cp2k-master/src/' cp_control_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/opt/cp2k-master/src/' mp2_optimize_ri_basis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/opt/cp2k-master/src/' qs_ks_apply_restraints.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ks_methods.F qs_ks_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/opt/cp2k-master/src/' qs_ks_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2_ri_gpw.F mp2_ri_gpw.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2_ri_grad.F mp2_ri_grad.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/opt/cp2k-master/src/' mp2_ri_grad.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/opt/cp2k-master/src/' mp2_ri_gpw.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_diagonalization.F qs_scf_diagonalization.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_post_se.F qs_scf_post_se.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_energy_init.F qs_energy_init.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_active_space_methods.F qs_active_space_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/almo_scf_qs.F almo_scf_qs.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/kg_energy_corrections.F kg_energy_corrections.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/opt/cp2k-master/src/' qs_energy_matrix_w.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/opt/cp2k-master/src/' qs_energy_init.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/opt/cp2k-master/src/' qs_scf_post_se.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/opt/cp2k-master/src/' qs_scf_diagonalization.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/opt/cp2k-master/src/' qs_electric_field_gradient.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"kg_energy_corrections.F\"" -I'/opt/cp2k-master/src/' kg_energy_corrections.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/opt/cp2k-master/src/' qs_linres_epr_nablavks.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/opt/cp2k-master/src/' qs_active_space_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/opt/cp2k-master/src/' qs_kpp1_env_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/opt/cp2k-master/src/' almo_scf_qs.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_basis_gradient.F qs_basis_gradient.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/opt/cp2k-master/src/' qs_basis_gradient.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_mom_methods.F qs_mom_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/opt/cp2k-master/src/' qs_mom_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/almo_scf_optimizer.F almo_scf_optimizer.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_outer_scf.F qs_outer_scf.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/opt/cp2k-master/src/' almo_scf_optimizer.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/opt/cp2k-master/src/' qs_outer_scf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_p_env_methods.F qs_p_env_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/opt/cp2k-master/src/' qs_p_env_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_initial_guess.F qs_initial_guess.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/opt/cp2k-master/src/' qs_initial_guess.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/opt/cp2k-master/src/' optbas_fenv_manipulation.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_module.F qs_linres_module.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/opt/cp2k-master/src/' qs_tddfpt_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/opt/cp2k-master/src/' qs_linres_module.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_environment_methods.F qs_environment_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/opt/cp2k-master/src/' qs_environment_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/opt/cp2k-master/src/' qs_scf_loop_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/opt/cp2k-master/src/' qs_tddfpt_eigensolver.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_initialization.F qs_scf_initialization.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/opt/cp2k-master/src/' dm_ls_scf_qs.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/opt/cp2k-master/src/' qs_scf_initialization.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pexsi_methods.F pexsi_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/dm_ls_chebyshev.F dm_ls_chebyshev.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/opt/cp2k-master/src/' dm_ls_chebyshev.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/opt/cp2k-master/src/' pexsi_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/opt/cp2k-master/src/' dm_ls_scf_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_tddfpt_module.F qs_tddfpt_module.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/opt/cp2k-master/src/' qs_tddfpt_module.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_methods.F pao_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/opt/cp2k-master/src/' pao_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pao_main.F pao_main.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/opt/cp2k-master/src/' pao_main.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/dm_ls_scf_create.F dm_ls_scf_create.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/opt/cp2k-master/src/' dm_ls_scf_create.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_environment.F qs_environment.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/opt/cp2k-master/src/' qs_environment.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_gamma2kp.F qs_gamma2kp.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_create.F qmmm_create.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/opt/cp2k-master/src/' qs_gamma2kp.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/opt/cp2k-master/src/' qmmm_create.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_band_structure.F qs_band_structure.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_wannier90.F qs_wannier90.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/opt/cp2k-master/src/' qs_band_structure.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/opt/cp2k-master/src/' qs_wannier90.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmmx_create.F qmmmx_create.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmmx_update.F qmmmx_update.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/opt/cp2k-master/src/' qmmmx_update.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/opt/cp2k-master/src/' qmmmx_create.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/rpa_ri_gpw.F rpa_ri_gpw.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"rpa_ri_gpw.F\"" -I'/opt/cp2k-master/src/' rpa_ri_gpw.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_post_gpw.F qs_scf_post_gpw.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/opt/cp2k-master/src/' qs_scf_post_gpw.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf_post_scf.F qs_scf_post_scf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/dm_ls_scf.F dm_ls_scf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/emd/rt_propagation_output.F rt_propagation_output.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/opt/cp2k-master/src/' qs_scf_post_scf.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/opt/cp2k-master/src/emd/' rt_propagation_output.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/opt/cp2k-master/src/' dm_ls_scf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_scf.F qs_scf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/almo_scf.F almo_scf.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/opt/cp2k-master/src/' qs_scf.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/opt/cp2k-master/src/' almo_scf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/emd/rt_propagation_methods.F rt_propagation_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/opt/cp2k-master/src/emd/' rt_propagation_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2_gpw.F mp2_gpw.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/library_tests.F library_tests.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/opt/cp2k-master/src/' library_tests.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/opt/cp2k-master/src/' mp2_gpw.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/emd/rt_propagator_init.F rt_propagator_init.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/opt/cp2k-master/src/emd/' rt_propagator_init.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kemd.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kemd.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xas_tp_scf.F xas_tp_scf.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/opt/cp2k-master/src/' xas_tp_scf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xas_methods.F xas_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/opt/cp2k-master/src/' xas_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mp2.F mp2.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/opt/cp2k-master/src/' mp2.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_energy_utils.F qs_energy_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/opt/cp2k-master/src/' qs_energy_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_energy.F qs_energy.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/opt/cp2k-master/src/' qs_energy.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/bsse.F bsse.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_force.F qs_force.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mscfg_methods.F mscfg_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/negf_env_types.F negf_env_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/opt/cp2k-master/src/' mscfg_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/opt/cp2k-master/src/' qs_force.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/opt/cp2k-master/src/' bsse.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/opt/cp2k-master/src/' negf_env_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/negf_methods.F negf_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/opt/cp2k-master/src/' negf_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmm_force.F qmmm_force.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/opt/cp2k-master/src/' qmmm_force.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qmmmx_force.F qmmmx_force.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/opt/cp2k-master/src/' qmmmx_force.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/force_env_methods.F force_env_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/opt/cp2k-master/src/' force_env_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/fist_main.F fist_main.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp2k_debug.F cp2k_debug.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/ipi_driver.F ipi_driver.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_coordinates.F mc_coordinates.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/opt/cp2k-master/src/' cp2k_debug.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/opt/cp2k-master/src/' fist_main.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/opt/cp2k-master/src/' ipi_driver.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_coordinates.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/f77_interface.F f77_interface.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/opt/cp2k-master/src/' f77_interface.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/replica_types.F replica_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/optimize_basis.F optimize_basis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/optimize_input.F optimize_input.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_calculations.F tmc_calculations.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_control.F mc_control.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/opt/cp2k-master/src/' replica_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/opt/cp2k-master/src/' optimize_basis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_control.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_calculations.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/opt/cp2k-master/src/' optimize_input.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/replica_methods.F replica_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_types.F pint_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_file_io.F tmc_file_io.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_moves.F tmc_moves.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/opt/cp2k-master/src/' replica_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/opt/cp2k-master/src/motion/' pint_types.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_file_io.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_moves.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_ge_moves.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_staging.F pint_staging.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_normalmode.F pint_normalmode.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_public.F pint_public.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_pile.F pint_pile.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_gle.F pint_gle.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/opt/cp2k-master/src/motion/' pint_staging.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/opt/cp2k-master/src/motion/' pint_public.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/opt/cp2k-master/src/motion/' pint_normalmode.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/opt/cp2k-master/src/motion/' pint_pile.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/opt/cp2k-master/src/motion/' pint_gle.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/helium_common.F helium_common.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/opt/cp2k-master/src/motion/' helium_common.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_dot_tree.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_transformations.F pint_transformations.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/opt/cp2k-master/src/motion/' pint_transformations.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_cancelation.F tmc_cancelation.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_cancelation.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_io.F pint_io.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/opt/cp2k-master/src/motion/' pint_io.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/opt/cp2k-master/src/motion/' input_cp2k_restarts.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/mode_selective.F mode_selective.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_tree_references.F tmc_tree_references.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/opt/cp2k-master/src/' mode_selective.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_tree_references.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_tree_search.F tmc_tree_search.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_tree_search.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_tree_build.F tmc_tree_build.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_tree_build.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_piglet.F pint_piglet.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_qtb.F pint_qtb.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/opt/cp2k-master/src/motion/' pint_piglet.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/opt/cp2k-master/src/motion/' pint_qtb.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/helium_interactions.F helium_interactions.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/opt/cp2k-master/src/motion/' helium_interactions.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/helium_io.F helium_io.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/opt/cp2k-master/src/motion/' helium_io.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_messages.F tmc_messages.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_analysis.F tmc_analysis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_tree_acceptance.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_analysis.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_messages.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/gopt_f_methods.F gopt_f_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/md_util.F md_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/rt_propagation.F rt_propagation.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/neb_io.F neb_io.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/opt/cp2k-master/src/motion/' md_util.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/opt/cp2k-master/src/motion/' rt_propagation.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/opt/cp2k-master/src/motion/' gopt_f_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/opt/cp2k-master/src/motion/' neb_io.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/helium_worm.F helium_worm.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/vibrational_analysis.F vibrational_analysis.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kmain.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kmain.a /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/opt/cp2k-master/src/motion/' helium_worm.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/opt/cp2k-master/src/motion/' vibrational_analysis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_master.F tmc_master.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_master.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_worker.F tmc_worker.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_worker.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/cg_optimizer.F cg_optimizer.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/bfgs_optimizer.F bfgs_optimizer.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/opt/cp2k-master/src/motion/' cg_optimizer.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/opt/cp2k-master/src/motion/' bfgs_optimizer.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/opt/cp2k-master/src/motion/' cp_lbfgs_optimizer_gopt.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/tmc_setup.F tmc_setup.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/opt/cp2k-master/src/tmc/' tmc_setup.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/shell_opt.F shell_opt.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/opt/cp2k-master/src/motion/' shell_opt.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/opt/cp2k-master/src/motion/' cp_lbfgs_geo.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/helium_sampling.F helium_sampling.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/opt/cp2k-master/src/motion/' helium_sampling.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/md_vel_utils.F md_vel_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/integrator.F integrator.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/opt/cp2k-master/src/motion/' md_vel_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/opt/cp2k-master/src/motion/' integrator.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/geo_opt.F geo_opt.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/cell_opt.F cell_opt.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/opt/cp2k-master/src/motion/' geo_opt.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/opt/cp2k-master/src/motion/' cell_opt.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2ktmc.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2ktmc.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/dimer_methods.F dimer_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/opt/cp2k-master/src/motion/' dimer_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/helium_methods.F helium_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/opt/cp2k-master/src/motion/' helium_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/velocity_verlet_control.F velocity_verlet_control.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/opt/cp2k-master/src/motion/' velocity_verlet_control.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/md_run.F md_run.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/opt/cp2k-master/src/motion/' md_run.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/swarm/glbopt_worker.F glbopt_worker.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_moves.F mc_moves.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/tamc_run.F tamc_run.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/neb_utils.F neb_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/gopt_f77_methods.F gopt_f77_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/opt/cp2k-master/src/swarm/' glbopt_worker.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/opt/cp2k-master/src/motion/' gopt_f77_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/opt/cp2k-master/src/motion/' neb_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/opt/cp2k-master/src/motion/mc/' tamc_run.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_moves.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/swarm/swarm_worker.F swarm_worker.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/opt/cp2k-master/src/swarm/' swarm_worker.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/swarm/swarm.F swarm.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/opt/cp2k-master/src/swarm/' swarm.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kswarm.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kswarm.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/pint_methods.F pint_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/opt/cp2k-master/src/motion/' pint_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_ensembles.F mc_ensembles.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_ensembles.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/neb_opt_utils.F neb_opt_utils.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/opt/cp2k-master/src/motion/' neb_opt_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/neb_methods.F neb_methods.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/opt/cp2k-master/src/motion/' neb_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/mc/mc_run.F mc_run.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/opt/cp2k-master/src/motion/mc/' mc_run.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kmc.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kmc.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/start/cp2k_runs.F cp2k_runs.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kmotion.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kmotion.a /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/opt/cp2k-master/src/start/' cp2k_runs.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/start/cp2k.F cp2k.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/start/libcp2k.F libcp2k.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/opt/cp2k-master/src/start/' cp2k.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/opt/cp2k-master/src/start/' libcp2k.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kstart.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kstart.a /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Wed Oct 17 19:27:05 UTC 2018\"" -D__COMPILE_HOST="\"manual-6142ce21-df9e-4b39-b3b2-a54a7ad71457-wxkwl\"" -D__COMPILE_REVISION="\"git:f78463a\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -Wl,--enable-new-dtags -L'/opt/cp2k-toolchain/install/openblas-0.2.20/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/openblas-0.2.20/lib' -L'/opt/cp2k-toolchain/install/fftw-3.3.7/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/fftw-3.3.7/lib' -L'/opt/cp2k-toolchain/install/libint-1.1.6/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/libint-1.1.6/lib' -L'/opt/cp2k-toolchain/install/libxc-4.0.3/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/libxc-4.0.3/lib' -L'/opt/cp2k-toolchain/install/libsmm/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/libsmm/lib' -L'/opt/cp2k-toolchain/install/libxsmm-1.9.0/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/libxsmm-1.9.0/lib' -L'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/lib' -L/opt/cp2k-master/lib/local/sopt -o /opt/cp2k-master/exe/local/cp2k.sopt cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kgrid -ldbcsrarnoldi -ldbcsrx -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kinput -lcp2kpw -lcp2kfft -lcp2kdbcsr_tensor -ldbcsr -ldbcsrmm -ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -lquip_core -latoms -lFoX_sax -lFoX_common -lFoX_utils -lFoX_fsys -lxsmmf -lxsmm -ldl -lpthread -lsmm_dnn -lxcf03 -lxc -Wl,-Bstatic -lderiv -lint -Wl,-Bdynamic -lfftw3 -lopenblas -lstdc++ ========== Generating Manual ========== CP2K version 7.0 (Development Version) Source code revision git:f78463a cp2kflags: libint fftw3 libxc quip smm_dnn smm xsmm libderiv_max_am1=5 libint_max_am=6 Summary: Manual generation works fine. Status: OK EndDate: 2018-10-17 19:30:47+00:00