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

JULITA INCA CHIROQUE julit... at uni.edu.pe
Mon May 27 12:17:23 UTC 2019
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Hello dear Tiziano:

Thank you so much for your kind reply!

As you can see in the attached image, I have previously checked the number 
set for the ulimit configuration with the option -u and it is 100, so I 
kept the 72 nodes. 

In the beginning, I tried the installation with the option --install-all 
with no parallel option -j, but I got the same error as now "Non-zero exit 
code detected." with the following packages:
binutils-2.30.tar.gz ...

After checking the packages and modules loaded in the cluster and I was not 
sure about the compatibilities and versions, I decided to install just the 
minimal version of CP2k which comprises 
scalapack, mpich and gfortran as I understood from [01]

Now I am doing what you suggested about reducing the number of processes, 
and as you can see in the picture attached I set -j 4, but I still get the 
same error as the beginning of the story  "Non-zero exit code detected."

This is a CRAY XC30 supercomputer using the standard nodes of Ivy Bridge 
and 64 GB of memory. My willing is to install CP2K6.1 with GCC7.2.0, 
FFTW3.3.4 and SCALAPACK 2.0.2.

Thanks a lot.

Best wishes,

[image: Screen Shot 2019-05-27 at 12.59.57 PM.png]
Julita 

[01] http://www.hector.ac.uk/cse/distributedcse/reports/cp2k/cp2k/node5.html


El domingo, 26 de mayo de 2019, 14:56:26 (UTC+1), Tiziano Müller escribió:
>
> 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 
> > l... at uni.edu.pe <javascript:> <mailto:l... at uni.edu.pe <javascript:>> 
> 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 
> > l... at uni.edu.pe <javascript:> <mailto:l... at uni.edu.pe <javascript:>> 
> 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 c... at googlegroups.com <javascript:> 
> > <mailto:c... at googlegroups.com <javascript:>>. 
> > To post to this group, send email to c... at googlegroups.com 
> <javascript:> 
> > <mailto:c... at googlegroups.com <javascript:>>. 
> > Visit this group at https://groups.google.com/group/cp2k. 
> > To view this discussion on the web visit 
> > 
> https://groups.google.com/d/msgid/cp2k/CAEQ3Boks31PEpu%2BmiOV0tkafQJehy-uV3AOhAL7FxkP_P6-UTw%40mail.gmail.com 
> > <
> 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 
> tiz... at chem.uzh.ch <javascript:> 
>
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