StartDate: 2018-10-04 13:17:14+00:00 CommitSHA: 6dcbc078d4fb5d4d53899ee08a80c02056136126 CommitTime: 2018-10-04 11:25:00 +0200 CommitAuthor: Ole Schütt CommitSubject: Adjust tolerance. ========== Copying Changed Files ========== sending incremental file list Makefile README.md src/input_cp2k_dft.F src/input_cp2k_mixed.F src/qs_cdft_utils.F src/common/bibliography.F src/common/reference_manager.F tests/QS/regtest-gpw-6-3/TEST_FILES tests/QS/regtest-ot-refine-2/TEST_FILES skipping non-regular file "tools/docker/test_coverage-pdbg" skipping non-regular file "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" tools/conventions/analyze_src.py tools/conventions/conventions.supp tools/conventions/test_conventions.sh tools/dashboard/generate_dashboard.py tools/regtesting/do_regtest sent 1,204,741 bytes received 1,467 bytes 804,138.67 bytes/sec total size is 193,745,662 speedup is 160.62 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 1.00 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 ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kgrid.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2khfxbase.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kacc.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kaccmic.a ar: creating /opt/cp2k-master/lib/local/sopt/libmicsmm.a ar: creating /opt/cp2k-master/lib/local/sopt/libclsmm.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/opt/cp2k-master/src/' cp2k_info.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kaccopencl.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kaccmic.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kmpiwrap.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kbase.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kacc.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kaccopencl.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kmpiwrap.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kbase.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/common/reference_manager.F reference_manager.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kfft.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kfft.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kminimax.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrbase.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/libdbcsrbase.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrdata.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrbdist.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrbdist.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kfm.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kfm.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2keri_mme.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrbblock.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2keri_mme.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrbblock.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/opt/cp2k-master/src/common/' reference_manager.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrops.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrops.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsr.a Updating archive /opt/cp2k-master/lib/local/sopt/libdbcsrmm.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsr.a ar: creating /opt/cp2k-master/lib/local/sopt/libdbcsrmm.a 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 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/header.F header.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"header.F\"" -I'/opt/cp2k-master/src/' header.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/common/bibliography.F bibliography.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kinput.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kinput.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/opt/cp2k-master/src/common/' bibliography.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kcommon.a ar: 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/opt/cp2k-master/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_xbecke88.F xc_xbecke88.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_lyp.F xc_lyp.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_xwpbe.F xc_xwpbe.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_xbeef.F xc_xbeef.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_pbe.F xc_pbe.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_b97.F xc_b97.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_vwn.F xc_vwn.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_pade.F xc_pade.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/extended_system_types.F extended_system_types.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-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_mixed.F input_cp2k_mixed.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_resp.F input_cp2k_resp.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_atprop.F input_cp2k_atprop.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_embed.F input_cp2k_embed.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/cp_lbfgs.F cp_lbfgs.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/swarm/glbopt_input.F glbopt_input.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_negf.F input_cp2k_negf.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/swarm/glbopt_minhop.F glbopt_minhop.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/opt/cp2k-master/src/' qs_mom_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/opt/cp2k-master/src/' qs_ot_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/opt/cp2k-master/src/aobasis/' basis_set_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/opt/cp2k-master/src/' pao_input.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/opt/cp2k-master/src/' input_cp2k_kpoints.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/opt/cp2k-master/src/pw/' mt_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/opt/cp2k-master/src/' pexsi_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/opt/cp2k-master/src/xc/' xc_pade.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/opt/cp2k-master/src/xc/' xc_pbe.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/opt/cp2k-master/src/xc/' xc_lyp.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/opt/cp2k-master/src/subsys/' external_potential_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/opt/cp2k-master/src/xc/' xc_xbeef.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/opt/cp2k-master/src/' input_cp2k_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/opt/cp2k-master/src/' input_cp2k_almo.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/opt/cp2k-master/src/' input_cp2k_hfx.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/opt/cp2k-master/src/' qs_fb_input.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/opt/cp2k-master/src/' input_cp2k_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/opt/cp2k-master/src/' rt_propagation_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/opt/cp2k-master/src/xc/' xc_xbecke88_long_range.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/opt/cp2k-master/src/xc/' xc_lyp_adiabatic.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/opt/cp2k-master/src/xc/' xc_libxc.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/opt/cp2k-master/src/' qs_dispersion_nonloc.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/opt/cp2k-master/src/' input_cp2k_embed.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/opt/cp2k-master/src/xc/' xc_b97.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/opt/cp2k-master/src/xc/' xc_perdew_zunger.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/opt/cp2k-master/src/' input_cp2k_free_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/opt/cp2k-master/src/xc/' xc_xbecke88.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/opt/cp2k-master/src/xc/' xc_xwpbe.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/opt/cp2k-master/src/xc/' xc_vwn.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/opt/cp2k-master/src/xc/' xc_tpss.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/opt/cp2k-master/src/' input_cp2k_atprop.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/opt/cp2k-master/src/motion/' cp_lbfgs.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/opt/cp2k-master/src/swarm/' glbopt_minhop.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/opt/cp2k-master/src/' admm_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/opt/cp2k-master/src/' preconditioner_solvers.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/opt/cp2k-master/src/' input_cp2k_negf.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/opt/cp2k-master/src/xc/' xc_xbecke_roussel.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/opt/cp2k-master/src/' extended_system_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/opt/cp2k-master/src/' input_cp2k_mixed.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/opt/cp2k-master/src/xc/' xc_xbecke88_lr_adiabatic.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/opt/cp2k-master/src/swarm/' glbopt_input.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/opt/cp2k-master/src/' input_cp2k_resp.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/al_system_types.F al_system_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/gle_system_types.F gle_system_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/csvr_system_types.F csvr_system_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/opt/cp2k-master/src/pw/' ps_wavelet_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/opt/cp2k-master/src/' csvr_system_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/opt/cp2k-master/src/' al_system_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/opt/cp2k-master/src/' gle_system_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/opt/cp2k-master/src/pw/' ps_implicit_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/opt/cp2k-master/src/' dm_ls_scf_curvy.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_ls.F input_cp2k_ls.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/opt/cp2k-master/src/' input_cp2k_ls.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/thermostat_types.F thermostat_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' thermostat_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/opt/cp2k-master/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/subsys/atomic_kind_types.F atomic_kind_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/opt/cp2k-master/src/subsys/' atomic_kind_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/manybody_eam.F manybody_eam.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/manybody_quip.F manybody_quip.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/subsys/multipole_types.F multipole_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_colvar.F input_cp2k_colvar.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 /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/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/opt/cp2k-master/src/' manybody_eam.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/opt/cp2k-master/src/' manybody_quip.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/opt/cp2k-master/src/subsys/' multipole_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/opt/cp2k-master/src/' input_cp2k_binary_restarts.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' thermostat_mapping.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/opt/cp2k-master/src/' input_cp2k_colvar.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_poisson.F input_cp2k_poisson.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2ksubsys.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2ksubsys.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/opt/cp2k-master/src/' input_cp2k_poisson.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/manybody_potential.F manybody_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/opt/cp2k-master/src/' manybody_potential.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/ewald_environment_types.F ewald_environment_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_mm.F input_cp2k_mm.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/opt/cp2k-master/src/' ewald_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/opt/cp2k-master/src/' input_cp2k_mm.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pw/pw_poisson_methods.F pw_poisson_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' al_system_mapping.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' extended_system_mapping.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' csvr_system_mapping.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/opt/cp2k-master/src/pw/' pw_poisson_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_subsys.F input_cp2k_subsys.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/opt/cp2k-master/src/tmc/' input_cp2k_tmc.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/opt/cp2k-master/src/' input_cp2k_subsys.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/al_system_init.F al_system_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' al_system_init.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/thermostat/csvr_system_init.F csvr_system_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/opt/cp2k-master/src/motion/thermostat/' csvr_system_init.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kpw.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kpw.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/ewalds_multipole.F ewalds_multipole.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/spme.F spme.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/ewalds.F ewalds.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/pme.F pme.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"spme.F\"" -I'/opt/cp2k-master/src/' spme.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/opt/cp2k-master/src/' ewalds.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pme.F\"" -I'/opt/cp2k-master/src/' pme.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/opt/cp2k-master/src/' ewalds_multipole.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/opt/cp2k-master/src/' input_cp2k_thermostats.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_neb.F input_cp2k_neb.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/opt/cp2k-master/src/' input_cp2k_neb.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/semi_empirical_types.F semi_empirical_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/aobasis/basis_set_container_types.F basis_set_container_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/paw_proj_set_types.F paw_proj_set_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_harmonics_atom.F qs_harmonics_atom.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/aobasis/soft_basis_set.F soft_basis_set.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_utils.F atom_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_o3c_types.F qs_o3c_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/generic_os_integrals.F generic_os_integrals.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/aobasis/aux_basis_set.F aux_basis_set.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/opt/cp2k-master/src/aobasis/' basis_set_container_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/opt/cp2k-master/src/' semi_empirical_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/opt/cp2k-master/src/aobasis/' soft_basis_set.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/opt/cp2k-master/src/' qs_harmonics_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/opt/cp2k-master/src/' paw_proj_set_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/opt/cp2k-master/src/aobasis/' aux_basis_set.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/opt/cp2k-master/src/' qs_o3c_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/opt/cp2k-master/src/' lri_optimize_ri_basis_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/opt/cp2k-master/src/shg_int/' generic_shg_integrals_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/opt/cp2k-master/src/' generic_os_integrals.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/opt/cp2k-master/src/shg_int/' generic_shg_integrals.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/opt/cp2k-master/src/' atom_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/lri_environment_types.F lri_environment_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_o3c_methods.F qs_o3c_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/opt/cp2k-master/src/' qs_o3c_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/opt/cp2k-master/src/' lri_environment_types.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kao.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kao.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/semi_empirical_utils.F semi_empirical_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/opt/cp2k-master/src/' semi_empirical_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/kg_vertex_coloring_methods.F kg_vertex_coloring_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/opt/cp2k-master/src/' kg_vertex_coloring_methods.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kshg_int.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kshg_int.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/lri_integrals.F lri_integrals.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/shg_integrals_test.F shg_integrals_test.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/opt/cp2k-master/src/' lri_integrals.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/opt/cp2k-master/src/' shg_integrals_test.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xc/xc_derivatives.F xc_derivatives.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/opt/cp2k-master/src/xc/' xc_derivatives.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_kind_types.F qs_kind_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/opt/cp2k-master/src/' qs_kind_types.F90 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kxc.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kxc.a /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/hfx_types.F hfx_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_linres_types.F qs_linres_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/particle_methods.F particle_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/distribution_methods.F distribution_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/task_list_methods.F task_list_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/core_ppl.F core_ppl.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_integral_utils.F qs_integral_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_oce_methods.F qs_oce_methods.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/core_ppnl.F core_ppnl.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/core_ae.F core_ae.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_dftb_parameters.F qs_dftb_parameters.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/auto_basis.F auto_basis.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_interactions.F qs_interactions.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/molden_utils.F molden_utils.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/commutator_rpnl.F commutator_rpnl.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/opt/cp2k-master/src/' cp_eri_mme_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/opt/cp2k-master/src/' qs_linres_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/opt/cp2k-master/src/' qs_integral_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/opt/cp2k-master/src/' auto_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/opt/cp2k-master/src/' particle_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/opt/cp2k-master/src/' core_ppl.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/opt/cp2k-master/src/' hfx_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/opt/cp2k-master/src/' qs_oce_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/opt/cp2k-master/src/' 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/opt/cp2k-master/src/' core_ppnl.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/opt/cp2k-master/src/' core_ae.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/opt/cp2k-master/src/' molden_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/opt/cp2k-master/src/' task_list_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/opt/cp2k-master/src/' commutator_rpnl.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/opt/cp2k-master/src/' kpoint_coulomb_2c.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/opt/cp2k-master/src/' qs_dftb_parameters.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/opt/cp2k-master/src/' qs_interactions.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/commutator_rkinetic.F commutator_rkinetic.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/opt/cp2k-master/src/' commutator_rkinetic.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/opt/cp2k-master/src/' cp_dbcsr_cp2k_link.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_mp2.F input_cp2k_mp2.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/force_fields_all.F force_fields_all.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/topology_coordinate_util.F topology_coordinate_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/opt/cp2k-master/src/' input_cp2k_qmmm.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/opt/cp2k-master/src/' input_cp2k_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/opt/cp2k-master/src/' force_fields_all.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/opt/cp2k-master/src/' topology_coordinate_util.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_global.F input_cp2k_global.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/opt/cp2k-master/src/' input_cp2k_global.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_overlap.F qs_overlap.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/kg_tnadd_mat.F kg_tnadd_mat.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/opt/cp2k-master/src/' qs_overlap.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/opt/cp2k-master/src/' kg_tnadd_mat.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_xc.F input_cp2k_xc.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/opt/cp2k-master/src/' input_cp2k_xc.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/cell_opt_utils.F cell_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/opt/cp2k-master/src/motion/' cell_opt_utils.F90 /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-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_atom.F input_cp2k_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/opt/cp2k-master/src/' input_cp2k_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/qs_kinetic.F qs_kinetic.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/opt/cp2k-master/src/' qs_kinetic.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/force_fields_input.F force_fields_input.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/opt/cp2k-master/src/' force_fields_input.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/scf_control_types.F scf_control_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_properties_dft.F input_cp2k_properties_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/opt/cp2k-master/src/' scf_control_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/opt/cp2k-master/src/' input_cp2k_properties_dft.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/xas_env_types.F xas_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/opt/cp2k-master/src/' xas_env_types.F90 /opt/cp2k-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/input_cp2k_force_eval.F input_cp2k_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/opt/cp2k-master/src/' input_cp2k_force_eval.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_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/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/hfx_screening_methods.F hfx_screening_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/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_mo_io.F qs_mo_io.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/qs_fb_env_methods.F qs_fb_env_methods.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/mp2_eri.F mp2_eri.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/qs_dftb_coulomb.F qs_dftb_coulomb.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/motion_utils.F motion_utils.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-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/thermal_region_utils.F 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/colvar_methods.F 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/atom_kind_orbitals.F atom_kind_orbitals.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/opt/cp2k-master/src/' qs_mo_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/opt/cp2k-master/src/' 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/kpoint_io.F kpoint_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/opt/cp2k-master/src/' kpoint_io.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/opt/cp2k-master/src/' cp_ddapc.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/lri_environment_methods.F lri_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_methods.F admm_methods.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-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/qs_pdos.F qs_pdos.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/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_cdft_utils.F 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/kg_environment.F kg_environment.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/opt/cp2k-master/src/' 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/opt/cp2k-master/src/motion/' simpar_methods.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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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_atom_current.F qs_linres_atom_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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-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_linres_polar_utils.F 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/metadynamics.F metadynamics.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-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/fist_environment.F fist_environment.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/opt/cp2k-master/src/' 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/opt/cp2k-master/src/' fist_environment.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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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_ri_libint.F 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/qs_ks_methods.F qs_ks_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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_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/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/kg_energy_corrections.F kg_energy_corrections.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-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_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/qs_linres_module.F qs_linres_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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_scf_initialization.F qs_scf_initialization.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/opt/cp2k-master/src/' 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/qmmm_create.F qmmm_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-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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/opt/cp2k-master/src/' 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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.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-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_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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/motion/mc/mc_ge_moves.F mc_ge_moves.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_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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/opt/cp2k-master/src/' optimize_input.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/pint_gle.F pint_gle.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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2ktmc.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2ktmc.a Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kmain.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kmain.a /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-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-master/tools/build_utils/fypp -n --line-marker-format=gfortran5 /opt/cp2k-master/src/motion/helium_methods.F helium_methods.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.2.20/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.9.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/opt/cp2k-master/src/motion/' 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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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_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 Updating archive /opt/cp2k-master/lib/local/sopt/libcp2kswarm.a ar: creating /opt/cp2k-master/lib/local/sopt/libcp2kswarm.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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/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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -D__DATA_DIR="\"/opt/cp2k-master/data\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/opt/cp2k-master/src/motion/' neb_methods.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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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="\"Thu Oct 4 13:17:22 UTC 2018\"" -D__COMPILE_HOST="\"manual-2e3cab0d-3ab5-456d-b948-944492834326-jvhmq\"" -D__COMPILE_REVISION="\"\"" -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) SVN source code revision 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: 2018-10-04 13:20:40+00:00