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

[JULITA INCA CHIROQUE]

Thank you so much dear Alfio for your suggestion.

I have done so far this steps in my cray supercomputer:
- module swap PrgEnv-cray PrgEnv-gnu
- module load cray-fftw
- module load cray-libsci

Questions:
1) Is it possible to run with just the gcc/7.3.0 and not with 
PrgEnv-gnu?. From [01] it is indicated that PgrEnv-gnu is needed to build 
MPICH. I wanted to run cp2k6.1 with gcc7.3.
2) When I clone cp2k6.1 and then I run the install_cp2k_toolchain.sh 
--install-all, the problems start with the packages binutils-2.30, 
openblas0.2.20 with the same error message: "Non-zero exit code detected."
   The other modules can be a problem? When I log in into the cluster, 
there are around 27 modules already loaded like eswrap, cce, pmi, dmapp, 
xpmem, atp, bolt, cray-mpich, udreg, ugni, alps, rca, gni-headers, etc.
3) I decided to put: install_cp2k_toolchain.sh -j 4 --with-libxsmm=install 
--with-openblas=system --with-fftw=system --with-reflapack=no 
--enable-cuda=no --enable-omp=no
    Can I set my path before building CP2K? By default PATH change what I 
am planning to do in my own environment. 

Best regards,
Julita Inca 

[01] https://wiki.mpich.org/mpich/index.php/Cray


El martes, 28 de mayo de 2019, 10:02:15 (UTC+1), Alfio Lazzaro escribió:
>
> Dear Julita,
> On a Cray system, you don't need to install GCC, FFTW, MPICH and 
> SCALAPACK, they are already provided by Cray.
> So, my first proposal is that you compile CP2K and use the internal arch 
> file
>
> https://github.com/cp2k/cp2k/blob/master/arch/CRAY-XC30-gfortran.psmp
>
> Make sure you load the right modules, i.e.
>
> module swap PrgEnv-cray PrgEnv-gnu
> module load fftw
>
> (SCALAPACK comes with cray-libsci)
>
> If it works, then the next step will be to install specific libraries, 
> such as LIBINT, LIBXC, LIBXSMM... It depends which are relevant to you. 
> Likely you have to install one by one by hand and link to CP2K...
>
> Alfio
>
>
>
> Il giorno sabato 25 maggio 2019 21:18:56 UTC+2, JULITA INCA CHIROQUE ha 
> scritto:
>
> 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 
>
> ...

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