StartDate: 2019-01-03 11:03:53+00:00 ========== Fetching Git Commit ========== From https://github.com/cp2k/cp2k * branch master -> FETCH_HEAD a5eacee..53314e2 master -> origin/master Fetching submodule exts/dbcsr From https://github.com/cp2k/dbcsr aa5f1913..fe84bfa6 develop -> origin/develop 96f626dc..d90c0ec5 master -> origin/master * [new tag] v1.0.0 -> v1.0.0 * [new tag] v1.0.0-rc.4 -> v1.0.0-rc.4 HEAD is now at 53314e2 Update DBCSR to v1.0.0.rc4 (#150) M exts/dbcsr Submodule path 'exts/dbcsr': checked out '78a915c2f3aa25abeaf401f9a672018d4adc7c47' CommitSHA: 53314e2d2677c6abcb41e93c64382d35294c83cf CommitTime: 2019-01-02 20:06:38 +0100 CommitAuthor: Alfio Lazzaro CommitSubject: Update DBCSR to v1.0.0.rc4 (#150) ========== Updating Toolchain ========== sending incremental file list .gitignore Dockerfile README_FOR_DEVELOPERS.md README_FOR_USERS.md sent 12,108 bytes received 93 bytes 24,402.00 bytes/sec total size is 233,465 speedup is 19.13 MPI is detected and it appears to be MPICH nvcc not found, disabling CUDA by default You have chosen to install GCC, therefore MPI libraries will have to be installed too Compiling with 16 processes. ERROR: (./install_cp2k_toolchain.sh, line 892) --gpu-ver currently only supports K20X, K40, K80, P100 as options ==================== 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-3.14.0 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 1.00 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-0.3.3.tar.gz: OK Checksum of OpenBLAS-0.3.3.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-0.3.3 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-1.10.0 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing ScaLAPACK ==================== scalapack-2.0.2 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing ELPA ==================== elpa-2017.05.002 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing PT-Scotch ==================== scotch-6.0.0 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing ParMETIS ==================== parmetis-4.0.3 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing METIS ==================== METIS is installed together with ParMETIS Step took 0.00 seconds. ==================== Installing SuperLU_DIST ==================== superlu_dist-5.1.2 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing PEXSI ==================== pexsi_dist-0.10.2 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing QUIP ==================== quip_dist-cc83ceea5776c40fcb5ab224a25ab04d62175449 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing gsl ==================== gsl-2.5 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing spglib ==================== spglib-1.10.4 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing hdf5 ==================== hdf5-1.10.4 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing SIRIUS ==================== sirius_dist-5.8.3 is already installed, skipping it. Step took 0.00 seconds. ==================== Installing json_fortran ==================== json-fortran-6.9.0 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 16 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.*" ========== Running Test ========== ========== Compiling CP2K ========== Discovering programs ... make -C /workspace/cp2k/exts/dbcsr \ INCLUDEMAKE=/workspace/cp2k/arch/local.sopt \ LIBDIR=/workspace/cp2k/lib/local/sopt/exts/dbcsr \ OBJDIR=/workspace/cp2k/obj/local/sopt/exts/dbcsr \ FYPPEXE=/workspace/cp2k/tools/build_utils/fypp Removing stale archives for sopt ... Resolving dependencies for sopt ... Removing stale archives ... Resolving dependencies ... /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/exts/dbcsr/src/data/dbcsr_data_methods_low.F dbcsr_data_methods_low.F90 /opt/cp2k-toolchain/install/gcc-8.2.0/bin/gfortran -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -I'/opt/cp2k-toolchain/install/openblas-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__SHORT_FILE__="\"dbcsr_data_methods_low.F\"" -I'/workspace/cp2k/exts/dbcsr/src/data/' -I'/workspace/cp2k/exts/dbcsr/src' dbcsr_data_methods_low.F90 Updating archive /workspace/cp2k/lib/local/sopt/exts/dbcsr/libdbcsr.a ar: creating /workspace/cp2k/lib/local/sopt/exts/dbcsr/libdbcsr.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kgrid.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kgrid.a /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/cp2k_info.F cp2k_info.F90 Updating archive /workspace/cp2k/lib/local/sopt/libdbcsrx.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kmpiwrap.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kbase.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2khfxbase.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kmpiwrap.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kbase.a ar: creating /workspace/cp2k/lib/local/sopt/libdbcsrx.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kfft.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2khfxbase.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kfft.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kminimax.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kminimax.a Updating archive /workspace/cp2k/lib/local/sopt/libdbcsrarnoldi.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kcommon.a ar: creating /workspace/cp2k/lib/local/sopt/libdbcsrarnoldi.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kcommon.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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' cp2k_info.F90 Updating archive /workspace/cp2k/lib/local/sopt/libcp2kshg_int.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kinput.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kinput.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kshg_int.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2keri_mme.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kao.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kfm.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2keri_mme.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kao.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kfm.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kpw.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kpw.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2ksubsys.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kxc.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2ksubsys.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kxc.a /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/header.F header.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/basis_set_output.F basis_set_output.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/topology_pdb.F 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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"header.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' 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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' basis_set_output.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/motion_utils.F 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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' 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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' motion_utils.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/environment.F 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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"environment.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' environment.F90 Updating archive /workspace/cp2k/lib/local/sopt/libcp2kthermostat.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kthermostat.a /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/bsse.F bsse.F90 Updating archive /workspace/cp2k/lib/local/sopt/libcp2kemd.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kemd.a /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' 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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' f77_interface.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/optimize_input.F optimize_input.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90 Updating archive /workspace/cp2k/lib/local/sopt/libcp2ktmc.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2ktmc.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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/workspace/cp2k/src/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' 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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/workspace/cp2k/src/motion/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' input_cp2k_restarts.F90 Updating archive /workspace/cp2k/lib/local/sopt/libcp2kmain.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kmain.a /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/motion/neb_io.F neb_io.F90 Updating archive /workspace/cp2k/lib/local/sopt/libcp2kswarm.a Updating archive /workspace/cp2k/lib/local/sopt/libcp2kmc.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kswarm.a ar: creating /workspace/cp2k/lib/local/sopt/libcp2kmc.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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/workspace/cp2k/src/motion/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' neb_io.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/start/cp2k_runs.F cp2k_runs.F90 Updating archive /workspace/cp2k/lib/local/sopt/libcp2kmotion.a ar: creating /workspace/cp2k/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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/workspace/cp2k/src/start/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' cp2k_runs.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/src/start/cp2k.F cp2k.F90 /workspace/cp2k/tools/build_utils/fypp -n --line-marker-format=gfortran5 /workspace/cp2k/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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/workspace/cp2k/src/start/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' 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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/workspace/cp2k/src/start/' -I'/workspace/cp2k/obj/local/sopt/exts/dbcsr' libcp2k.F90 Updating archive /workspace/cp2k/lib/local/sopt/libcp2kstart.a ar: creating /workspace/cp2k/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-0.3.3/include' -I'/opt/cp2k-toolchain/install/fftw-3.3.7/include' -I'/opt/cp2k-toolchain/install/libint-1.1.6/include' -I'/opt/cp2k-toolchain/install/libxc-4.0.3/include' -I'/opt/cp2k-toolchain/install/libxsmm-1.10.0/include' -I'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/include' -I'/opt/cp2k-toolchain/install/gsl-2.5/include' -I/opt/cp2k-toolchain/install/spglib-1.10.4/include -I/opt/cp2k-toolchain/install/hdf5-1.10.4/include -I'/opt/cp2k-toolchain/install/json_fortran-6.9.0/include' -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__LIBXSMM -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__QUIP -D__SPGLIB -D__JSON -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Thu Jan 3 11:04:06 UTC 2019\"" -D__COMPILE_HOST="\"run-cp2k-manual-13e19c16-z4hxd\"" -D__COMPILE_REVISION="\"git:53314e2\"" -D__DATA_DIR="\"/workspace/cp2k/data\"" -Wl,--enable-new-dtags -L'/opt/cp2k-toolchain/install/openblas-0.3.3/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/openblas-0.3.3/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-1.10.0/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/libxsmm-1.10.0/lib' -L'/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/quip-cc83ceea5776c40fcb5ab224a25ab04d62175449/lib' -L'/opt/cp2k-toolchain/install/gsl-2.5/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/gsl-2.5/lib' -L'/opt/cp2k-toolchain/install/spglib-1.10.4/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/spglib-1.10.4/lib' -L'/opt/cp2k-toolchain/install/hdf5-1.10.4/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/hdf5-1.10.4/lib' -L'/opt/cp2k-toolchain/install/json_fortran-6.9.0/lib' -Wl,-rpath='/opt/cp2k-toolchain/install/json_fortran-6.9.0/lib' -L/workspace/cp2k/lib/local/sopt -o /workspace/cp2k/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 -lcp2kfm -lcp2kcommon -lcp2kmpiwrap -lcp2kbase -L/workspace/cp2k/lib/local/sopt/exts/dbcsr -ldbcsr -ljsonfortran -lsymspg -lquip_core -latoms -lFoX_sax -lFoX_common -lFoX_utils -lFoX_fsys -lxsmmf -lxsmm -ldl -lpthread -lsmm_dnn -lxcf03 -lxc -Wl,-Bstatic -lderiv -lint -Wl,-Bdynamic -lfftw3 -lopenblas -lstdc++ ========== Generating Manual ========== CP2K version 7.0 (Development Version) Source code revision git:53314e2 cp2kflags: libint fftw3 libxc quip smm_dnn smm xsmm libderiv_max_am1=5 libint_max_am=6 spglib json Summary: Manual generation works fine. Status: OK EndDate: 2019-01-03 11:04:40+00:00