<div dir="ltr">Hey dear Alfio, the problem was not to put the source in the PBS file.<div> </div><div>I will try the regtest to confirm the tests!!!</div><div> </div><div>:)</div><div> </div><div>Best,</div><div>Julita El jueves, 6 de junio de 2019, 7:28:35 (UTC+1), Alfio Lazzaro escribió:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">OK, I assume this is on the frontend node, where you told us that CP2K works.<div>There the libgfortran.so.4 is found and you can see the path where it is.</div><div>However, you are missing the second part of my suggestion: run the same ldd command on the PBS script and compare the output.</div><div> </div><div>Alfio</div><div> Il giorno mercoledì 5 giugno 2019 16:44:51 UTC+2, JULITA INCA CHIROQUE ha scritto:<blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">OK I am sorry for the typo.<div>Here I have an output</div><div> </div><div>Thanks so much dear Alfio</div><div>Julita El miércoles, 5 de junio de 2019, 15:34:16 (UTC+1), Alfio Lazzaro escribió:<blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Please, as you can see ldd cannot find cp2k.popt executable.<div>Since you are run in the arch directory, the path is different</div><div> </div><div>ldd ../exe/local/cp2k.popt</div><div> </div><div>The message `No such file or directory` is not what I'm interested to see, I hope it is clear.</div><div> </div><div>Then, you should run the same commands inside the PBS script (make sure the path is correct) and compare the two outputs.</div><div>Good luck!</div><div> </div><div>Alfio <div> </div><div> <div> Il giorno mercoledì 5 giugno 2019 16:14:25 UTC+2, JULITA INCA CHIROQUE ha scritto:<blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">OK, please find attached the outputs you asked to do.<div> </div><div>I think I have to do first the regtest in front-end if I get good answers, I will let you know :) <div> </div><div>Best,</div><div>Julita El sábado, 25 de mayo de 2019, 20:18:56 (UTC+1), JULITA INCA CHIROQUE escribió:<blockquote style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr">Hello,</div><div dir="ltr"> </div><div dir="ltr">I was able to install cp2k6.1 with these options:</div><div dir="ltr"> </div><div dir="ltr"><code style="color:rgb(0,0,0)">./install_cp2k_toolchain.sh -j 72 --enable-cuda=no --with-scalapack --with-libxsmm=no --with-reflapack=no --with-libint=no --with-libxc=no --with-openblas=no</code></div><div dir="ltr"> </div><div dir="ltr">Then, I executed the commands:</div><div dir="ltr"><pre lang="shell" style="color:rgb(0,0,0)">cp /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/arch/* arch/ </pre><pre lang="shell" style="color:rgb(0,0,0)">source /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/setup </pre><pre lang="shell" style="color:rgb(0,0,0)">cd makefiles/</pre><pre lang="shell" style="color:rgb(0,0,0)">However, the installation look into another $HOME path, even though I set in source my cp2k path installation:</pre><div> jinca@eslogin005:/home2/y07/y07/cse/xalt/0.6.0/bin> source /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/setup jinca@eslogin005:/home2/y07/y07/cse/xalt/0.6.0/bin> cd /work/d167/d167/jinca/Dissertation/Downloads/cp2k/makefiles/ jinca@eslogin005:/work/d167/d167/jinca/Dissertation/Downloads/cp2k/makefiles> make -j 72 ARCH=local VERSION="popt" Discovering programs ... Removing stale archives for popt ... Resolving dependencies for popt ... /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/acc/acc_stream.F acc_stream.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/dbcsr/dist/dbcsr_min_heap.F dbcsr_min_heap.F90 Updating archive /work/d167/d167/jinca/Dissertation/Downloads/cp2k/lib/local/popt/libcp2kmpiwrap.a ar: creating /work/d167/d167/jinca/Dissertation/Downloads/cp2k/lib/local/popt/libcp2kmpiwrap.a /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/erf_fn.F erf_fn.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/spherical_harmonics.F spherical_harmonics.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n 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-D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/erf_fn.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' erf_fn.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/input/cp_parser_status_types.F cp_parser_status_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion 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-Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/cuda_profiling.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' cuda_profiling.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/damping_dipole_types.F damping_dipole_types.F90 ftn -c -march=native 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mathlib.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' string_table.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/force_field_kind_types.F force_field_kind_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' structure_factor_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/pw_grid_types.F pw_grid_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' list_callstackentry.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' lebedev.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/cp_para_env.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' cp_para_env.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' parallel_rng_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' gamma.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/fft/fftw3_lib.F fftw3_lib.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/dict.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' dict.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' powell.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/xml_parser.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' xml_parser.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' splines.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' eigenvalueproblems.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' whittaker.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/metadyn_tools/' graph_utils.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' linear_systems.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/' periodic_table.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/input/' cp_parser_inpp_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/' shell_potential_types.F90 /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/fm/cp_blacs_calls.F cp_blacs_calls.F90 /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Warning: Unable to determine ld version. Default linker script will be used. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Error: Problem invoking pkg-config. Warning: Unable to determine ld version. Warning: Unable to determine ld version. Default linker script will be used. Default linker script will be used. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Warning: Unable to determine ld version. Default linker script will be used. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Error: Problem invoking pkg-config. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Warning: Unable to determine ld version. Default linker script will be used. Warning: Unable to determine ld version. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable Default linker script will be used. Error: Problem invoking pkg-config. /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 44: /xalt_helper_functions.sh: No such file or directory Error: Problem invoking pkg-config. /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 44: /xalt_helper_functions.sh: No such file or directory Failed to fork - Resource temporarily unavailable /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 48: request_tracing: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 48: request_tracing: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 55: find_real_command: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 55: find_real_command: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 60: find_working_python: command not found /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 60: find_working_python: command not found Warning: Unable to determine ld version. Default linker script will be used. Warning: Unable to determine ld version. Default linker script will be used. ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/input/' cp_parser_status_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/' mixed_energy_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/' damping_dipole_types.F90 ftn -c -march=native -fno-omit-frame-pointer -g -O3 -funroll-loops -ffast-math -ffree-form -std=f2003 -fimplicit-none -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only -D__parallel -D__MPI_VERSION=3 -D__FFTW3 -D__SCALAPACK -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Sat May 25 20:08:14 BST 2019\"" -D__COMPILE_HOST="\"eslogin005\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/work/d167/d167/jinca/Dissertation/Downloads/cp2k/data\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/s</div></div></div></div></div></div></blockquote></div></div></div></blockquote></div></div></div></div></blockquote></div></div></blockquote></div></div>...</blockquote></div></div>