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

JULITA INCA CHIROQUE julit... at uni.edu.pe
Tue May 28 14:34:52 UTC 2019
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Yes, it was weird to find bad performance internode when I run 
the popt version to check MPI processes in the Intel cluster. 
It was scaling very well when I tested within a node, but when I started to 
run internode, the runtime increased considerably. 
I thought I did not do a good installation but I going to try with another 
stable version as CK2K4.1 to see if it behaves similarly or not. 
When I will have lots of runtimes to compare, I think I have to open 
another thread topic because this one has been solved thanks to your kind 
support Mister Alfio.

Best wishes,
Julita Inca 

El martes, 28 de mayo de 2019, 14:06:34 (UTC+1), Alfio Lazzaro escribió:
>
> 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=
>
> ...

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