[CP2K-user] [CP2K:11795] Compiling CP2K6.1 with the minimal packages

Tiziano Müller tiziano... at chem.uzh.ch
Sun May 26 13:56:18 UTC 2019
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Hi Julita,

the error

  "fork: Resource temporarily unavailable"

occurs due to too many user processes [1]. Reduce the number of parallel
build processes [2] first.

Best,
Tiziano


[1]
https://unix.stackexchange.com/questions/205016/fork-retry-resource-temporarily-unavailable
[2] https://www.gnu.org/software/make/manual/html_node/Parallel.html

Am 25.05.19 um 21:18 schrieb JULITA INCA CHIROQUE:
> Hello,
> 
> I was able to install cp2k6.1 with these options:
> 
> |./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|
> 
> Then, I executed the commands:
> 
> cp
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/arch/*
> arch/
> 
> source
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/setup
> 
> cd makefiles/
> 
> However, the installation look into another $HOME path, even though I
> set in source my cp2k path installation:
> 
> 
> jinca at eslogin005:/home2/y07/y07/cse/xalt/0.6.0/bin> source
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/toolchain/install/setup
> 
> jinca at eslogin005:/home2/y07/y07/cse/xalt/0.6.0/bin> cd
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/makefiles/
> 
> jinca at 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
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/cp_iter_types.F
> cp_iter_types.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/list_callstackentry.F
> list_callstackentry.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/list_routinestat.F
> list_routinestat.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__="\"dbcsr/dist/dbcsr_min_heap.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/dbcsr/dist/'
> dbcsr_min_heap.F90 
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/dict.F
> 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__="\"acc/acc_stream.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/acc/'
> acc_stream.F90 
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/cuda_profiling.F
> cuda_profiling.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/lebedev.F
> lebedev.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/mathlib.F
> mathlib.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/structure_factor_types.F
> structure_factor_types.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/cp_para_env.F
> cp_para_env.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/string_table.F
> string_table.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/parallel_rng_types.F
> parallel_rng_types.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/gamma.F
> gamma.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/powell.F
> powell.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/xml_parser.F xml_parser.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/splines.F
> splines.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/eigenvalueproblems.F
> eigenvalueproblems.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/whittaker.F
> whittaker.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/linear_systems.F
> linear_systems.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/periodic_table.F
> periodic_table.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/metadyn_tools/graph_utils.F
> graph_utils.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/input/cp_parser_inpp_types.F
> 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__="\"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 -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_iter_types.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/'
> cp_iter_types.F90 
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/mixed_energy_types.F
> mixed_energy_types.F90
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/shell_potential_types.F
> shell_potential_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/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 -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/spherical_harmonics.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/'
> spherical_harmonics.F90 
> 
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/tools/build_utils/fypp
> -n
> /work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/atprop_types.F
> atprop_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/mathlib.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/'
> 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/subsys/'
> atprop_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/force_field_kind_types.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/subsys/'
> force_field_kind_types.F90 
> 
> make[3]: *** [structure_factor_types.o] Error 1
> 
> make[3]: *** Waiting for unfinished jobs....
> 
> make[3]: *** [splines.o] Error 1
> 
> make[3]: *** [whittaker.o] Error 1
> 
> make[3]: *** [cp_parser_inpp_types.o] Error 1
> 
> make[3]: *** [shell_potential_types.o] Error 1
> 
> 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__="\"pw/pw_grid_types.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/'
> pw_grid_types.F90 
> 
> Warning:
> 
> Unable to determine ld version.
> 
> Default linker script will be used.
> 
> 
> /opt/gcc/7.2.0/bin/gfortran: fork: Resource temporarily unavailable
> 
> Error: Problem invoking pkg-config.
> 
> make[3]: *** [atprop_types.o] Error 1
> 
> make[3]: *** [list_callstackentry.o] Error 128
> 
> /opt/gcc/7.2.0/bin/gfortran: fork: Resource temporarily unavailable
> 
> /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable
> 
> /opt/gcc/7.2.0/bin/gfortran: fork: Resource temporarily unavailable
> 
> Warning:
> 
> Unable to determine ld version.
> 
> Default linker script will be used.
> 
> 
> make[3]: *** [parallel_rng_types.o] Error 128
> 
> make[3]: *** [dict.o] Error 128
> 
> /home/y07/y07/cse/xalt/0.6.0/bin/ld: fork: Resource temporarily unavailable
> 
> Error: Problem invoking pkg-config.
> 
> make[3]: *** [periodic_table.o] Error 1
> 
> /usr/bin/dirname: missing operand
> 
> Try `/usr/bin/dirname --help' for more information.
> 
> /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 44: /xalt_helper_functions.sh:
> No such file or directory
> 
> /home/y07/y07/cse/xalt/0.6.0/bin/ld: line 48: request_tracing: command
> not found
> 
> 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__="\"pw/fft/fftw3_lib.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/fft/'
> fftw3_lib.F90 
> 
> /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
> 
> Warning:
> 
> Unable to determine ld version.
> 
> Default linker script will be used.
> 
> 
> /home2/y07/y07/cse/xalt/0.6.0/bin/xalt_helper_functions.sh: fork:
> Resource temporarily unavailable
> 
> 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__="\"pw/fft/mltfftsg_tools.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/pw/fft/'
> mltfftsg_tools.F90 
> 
> sh: fork: Resource temporarily unavailable
> 
> Error invoking pkg-config!
> 
> make[3]: *** [powell.o] Error 128
> 
> Warning:
> 
> Unable to determine ld version.
> 
> Default linker script will be used.
> 
> 
> Error: Problem invoking pkg-config.
> 
> make[3]: *** [mltfftsg_tools.o] Error 1
> 
> /opt/gcc/7.2.0/bin/gfortran: fork: Resource temporarily unavailable
> 
> make[3]: *** [mixed_energy_types.o] Error 128
> 
> 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_routinestat.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/common/'
> list_routinestat.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__="\"fm/cp_blacs_calls.F\""
> -I'/work/d167/d167/jinca/Dissertation/Downloads/cp2k/src/fm/'
> cp_blacs_calls.F90 
> 
> make[2]: *** [all] Error 2
> 
> make[1]: *** [popt] Error 2
> 
> make: *** [all] Error 2
> 
> jinca at eslogin005:/work/d167/d167/jinca/Dissertation/Downloads/cp2k/makefiles> 
> 
> 
> Hope you can guide me with this basic procedure.
> 
> Thanks,
> Julita 
> 
> ------------------------------------------------------------------------
> "Este mensaje y sus anexos van dirigidos exclusivamente a la persona o
> entidad que se muestra como destinatario/s y pueden contener datos
> personales y/o información confidencial, sometida a secreto profesional
> o cuya divulgación esté prohibida en la legislación vigente.
> Que<http://www.ctic.uni.edu.pe/>da prohibida, toda divulgación,
> reproducción u otra acción al respecto por parte de personas o entidades
>  distintas al destinatario/s. Si ha recibido este mensaje por error, por
> favor, contáctenos a la siguiente dirección de correo electrónico
> lp... at uni.edu.pe <mailto:lp... at uni.edu.pe> y proceda a su eliminación.
> 
> En cumplimiento a lo establecido en la Ley de Protección de Datos
> Personales - Ley N° 29733, le informamos que sus datos personales
> obtenidos son almacenados bajo la confidencialidad y las medidas de
> seguridad legalmente establecidas y no serán cedidos ni compartidos con
> empresas ni entidades ajenas a la Universidad Nacional de Ingeniería. Si
> lo desea, usted podrá ejercitar los derechos de actualización,
> inclusión, rectificación, supresión u oposición, enviando un mensaje al
> correo electrónico anteriormente señalado e indicando en el "Asunto" el
> derecho que desea ejercer"
> 
> 
> ------------------------------------------------------------------------
> "Este mensaje y sus anexos van dirigidos exclusivamente a la persona o
> entidad que se muestra como destinatario/s y pueden contener datos
> personales y/o información confidencial, sometida a secreto profesional
> o cuya divulgación esté prohibida en la legislación vigente.
> Que<http://www.ctic.uni.edu.pe/>da prohibida, toda divulgación,
> reproducción u otra acción al respecto por parte de personas o entidades
>  distintas al destinatario/s. Si ha recibido este mensaje por error, por
> favor, contáctenos a la siguiente dirección de correo electrónico
> lp... at uni.edu.pe <mailto:lp... at uni.edu.pe> y proceda a su eliminación.
> 
> En cumplimiento a lo establecido en la Ley de Protección de Datos
> Personales - Ley N° 29733, le informamos que sus datos personales
> obtenidos son almacenados bajo la confidencialidad y las medidas de
> seguridad legalmente establecidas y no serán cedidos ni compartidos con
> empresas ni entidades ajenas a la Universidad Nacional de Ingeniería. Si
> lo desea, usted podrá ejercitar los derechos de actualización,
> inclusión, rectificación, supresión u oposición, enviando un mensaje al
> correo electrónico anteriormente señalado e indicando en el "Asunto" el
> derecho que desea ejercer"
> 
> -- 
> You received this message because you are subscribed to the Google
> Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send
> an email to cp... at googlegroups.com
> <mailto:cp... at googlegroups.com>.
> To post to this group, send email to cp... at googlegroups.com
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> Visit this group at https://groups.google.com/group/cp2k.
> To view this discussion on the web visit
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> <https://groups.google.com/d/msgid/cp2k/CAEQ3Boks31PEpu%2BmiOV0tkafQJehy-uV3AOhAL7FxkP_P6-UTw%40mail.gmail.com?utm_medium=email&utm_source=footer>.
> For more options, visit https://groups.google.com/d/optout.

-- 
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch
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