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

[Alfio Lazzaro]

You are welcome!

As a suggestion, you probably want to compare the single-node performance, 
but MPI is not an issue and you can even go for ssmp CP2K (only OpenMP).
I'm not sure what you want to compare between Intel and Cray since Cray 
uses Intel CPUs on XC30...
Each supercomputer has an MPI version installed which is optimized for the 
network, that's the case for Cray-mpich. You are not "allowed" to install 
OpenMPI and use it.
Concerning ARM, this is a bit more complicated, since currently CP2K 
doesn't support it and you have to build some of the libraries (in 
particular libsmm instead of libxsmm).

Please post if you have any trouble.

Alfio



Il giorno martedì 28 maggio 2019 14:54:13 UTC+2, JULITA INCA CHIROQUE ha 
scritto:
>
> OK, attached is the output of ftn -v
> I think it is using gcc/7.3.0
> What I am planning to do is a comparison of the benchmark of CP2K in 
> different architectures (Intel, Cray, ARM), then I was trying to use the 
> same packages and versions but it seems that it will not be possible at all.
> I was thinking of openmpi as free software in the three environments to 
> have a fair comparison.
> So far, I will test more samples of water in my Cray supercomputer.
> Thanks so much again Mister Alfio.
> Julita Inca
>
> [image: Screen Shot 2019-05-28 at 1.50.12 PM.png]
>
>
> El martes, 28 de mayo de 2019, 13:34:03 (UTC+1), Alfio Lazzaro escribió:
>
> So, first of all you have to run
>
> ftn -v 
>
> to make sure which compiler you are using to compile CP2K. Just to be 
> sure, after the swap of the compiler, you have to recompile the toolchain 
> command and recompile CP2K...
>
> Concerning Cray-mpich, this is the default on Cray and it is used by aprun 
> (otherwise it would not work). Therefore, if you are able to run with MPI 
> then it must be Cray-mpich.
>
> I'm not aware of any Cray openmpi implementation (do you have an openmpi 
> module in your system?)
>
> Alfio
>
>
>
>
> Il giorno martedì 28 maggio 2019 14:16:32 UTC+2, JULITA INCA CHIROQUE ha 
> scritto:
>
> Thank you so much dear Alfio!!!
>
> From the output attached, can I say that I was able to run CP2K6.1 with 
> gcc7.3.0? 
>
> Could you please also confirm that [01] is OK at saying that PrgEnv-gnu is 
> used to build MPICH? 
> I am still trying to find out what version of MPICH is being used, the 
> same for Scalapack. Can I also ask if it is possible to use in Cray openmpi?
>
> Best regards Mister Alfio!
> Julita Inca
>
> [01] https://wiki.mpich.org/mpich/index.php/Cray
>
> [image: Screen Shot 2019-05-28 at 1.10.41 PM.png]
>
>
> El sábado, 25 de mayo de 2019, 20:18:56 (UTC+1), JULITA INCA CHIROQUE 
> escribió:
>
> 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 -Werro
>
> ...

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