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xylarxylar
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Merge pull request #143 from xylar/update-frontier
Updates to Frontier
2 parents 8e0cb59 + 33fe455 commit 445ac07

10 files changed

+659
-1
lines changed

‎mache/machines/frontier.cfg‎

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@@ -41,7 +41,7 @@ system = slurm
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parallel_executable = srun
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# cores per node on the machine
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cores_per_node = 56
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cores_per_node = 64
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# account for running diagnostics jobs
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account = cli115

‎mache/spack/frontier_crayclang_mpich.csh‎

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module reset >& /dev/null
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module switch PrgEnv-cray PrgEnv-cray/8.3.3 >& /dev/null
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module switch cce cce/15.0.1 >& /dev/null
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module switch craype craype/2.7.20 >& /dev/null
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{% if e3sm_lapack %}
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module load cray-libsci/22.12.1.1
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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module load cray-hdf5-parallel/1.12.2.1
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module load cray-netcdf-hdf5parallel/4.9.0.1
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module load cray-parallel-netcdf/1.12.3.1
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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setenv NETCDF_C_PATH $CRAY_NETCDF_HDF5PARALLEL_PREFIX
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setenv NETCDF_FORTRAN_PATH $CRAY_NETCDF_HDF5PARALLEL_PREFIX
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setenv PNETCDF_PATH $CRAY_PARALLEL_NETCDF_PREFIX
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{% endif %}
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setenv HDF5_USE_FILE_LOCKING FALSE

‎mache/spack/frontier_crayclang_mpich.sh‎

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module reset >& /dev/null
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module switch PrgEnv-cray PrgEnv-cray/8.3.3 >& /dev/null
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module switch cce cce/15.0.1 >& /dev/null
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module switch craype craype/2.7.20 >& /dev/null
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{% if e3sm_lapack %}
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module load cray-libsci/22.12.1.1
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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module load cray-hdf5-parallel/1.12.2.1
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module load cray-netcdf-hdf5parallel/4.9.0.1
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module load cray-parallel-netcdf/1.12.3.1
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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export NETCDF_C_PATH=$CRAY_NETCDF_HDF5PARALLEL_PREFIX
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export NETCDF_FORTRAN_PATH=$CRAY_NETCDF_HDF5PARALLEL_PREFIX
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export PNETCDF_PATH=$CRAY_PARALLEL_NETCDF_PREFIX
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{% endif %}
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export HDF5_USE_FILE_LOCKING=FALSE

‎mache/spack/frontier_crayclang_mpich.yaml‎

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spack:
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specs:
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- cray-mpich
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{% if e3sm_lapack %}
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- cray-libsci
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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- hdf5
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- netcdf-c
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- netcdf-fortran
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- parallel-netcdf
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{% endif %}
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{{ specs }}
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concretizer:
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unify: when_possible
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packages:
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all:
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compiler: [[email protected]]
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providers:
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mpi: [[email protected]]
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{% if e3sm_lapack %}
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lapack: [[email protected]]
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{% endif %}
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autoconf:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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automake:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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bzip2:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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cmake:
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externals:
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- spec: [email protected]
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prefix: /sw/frontier/spack-envs/base/opt/linux-sles15-x86_64/gcc-7.5.0/cmake-3.23.2-4r4mpiba7cwdw2hlakh5i7tchi64s3qd
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buildable: false
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curl:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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gettext:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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gmake:
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externals:
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- spec: [email protected]
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prefix: /sw/frontier/spack-envs/base/opt/linux-sles15-x86_64/gcc-7.5.0/gmake-4.3-32qt54ujpdxcat7ceg4vcjlmf2ze25j5
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buildable: false
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libxml2:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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m4:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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ncurses:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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openssl:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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perl:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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python:
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externals:
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- spec: [email protected]
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prefix: /opt/cray/pe/python/3.9.13.1
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modules:
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- cray-python/3.9.13.1
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buildable: false
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tar:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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xz:
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externals:
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- spec: [email protected]
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prefix: /usr
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buildable: false
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cray-mpich:
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externals:
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- spec: [email protected]
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prefix: /opt/cray/pe/mpich/8.1.23/ofi/crayclang/10.0
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modules:
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- libfabric/1.15.2.0
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- cray-mpich/8.1.23
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buildable: false
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libfabric:
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externals:
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- spec: [email protected]
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prefix: /opt/cray/libfabric/1.15.2.0
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modules:
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- libfabric/1.15.2.0
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buildable: false
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{% if e3sm_lapack %}
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cray-libsci:
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externals:
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- spec: [email protected]
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prefix: /opt/cray/pe/libsci/22.12.1.1/crayclang/9.0/x86_64
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modules:
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- cray-libsci/22.12.1.1
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buildable: false
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{% endif %}
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{% if e3sm_hdf5_netcdf or system_hdf5_netcdf %}
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hdf5:
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externals:
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- spec: [email protected]~cxx+fortran+hl~java+mpi+shared
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prefix: /opt/cray/pe/hdf5-parallel/1.12.2.1/crayclang/14.0
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buildable: false
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parallel-netcdf:
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externals:
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- spec: [email protected]+cxx+fortran+pic+shared
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prefix: /opt/cray/pe/parallel-netcdf/1.12.3.1/crayclang/14.0
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buildable: false
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netcdf-c:
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externals:
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- spec: [email protected]+mpi~parallel-netcdf
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prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.1/crayclang/14.0
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buildable: false
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netcdf-fortran:
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externals:
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- spec: [email protected]
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prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.1/crayclang/14.0
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buildable: false
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{% endif %}
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config:
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install_missing_compilers: false
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compilers:
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- compiler:
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spec: [email protected]
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paths:
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cc: cc
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cxx: CC
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f77: ftn
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fc: ftn
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flags: {}
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operating_system: sles15
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target: any
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modules:
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- PrgEnv-cray/8.3.3
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- cce/15.0.1
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- craype/2.7.20
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- libfabric/1.15.2.0
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environment:
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set:
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RFE_811452_DISABLE: '1'
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append_path:
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LD_LIBRARY_PATH: /opt/cray/pe/gcc-libs:/opt/cray/libfabric/1.15.2.0/lib64
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prepend_path:
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LD_LIBRARY_PATH: /opt/cray/pe/pmi/6.1.8/lib
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PKG_CONFIG_PATH: "/opt/cray/xpmem/2.6.2-2.5_2.22__gd067c3f.shasta/lib64/pkgconfig"
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extra_rpaths:
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- /opt/cray/pe/gcc-libs
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- /opt/cray/gcc-libs

‎mache/spack/frontier_crayclanggpu_mpich.csh‎

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module reset >& /dev/null
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module switch PrgEnv-cray PrgEnv-cray/8.3.3 >& /dev/null
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module switch cce cce/15.0.1 >& /dev/null
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module switch craype craype/2.7.20 >& /dev/null
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module load craype-accel-amd-gfx90a
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module load rocm/5.4.0
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{% if e3sm_lapack %}
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module load cray-libsci/22.12.1.1
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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module load cray-hdf5-parallel/1.12.2.1
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module load cray-netcdf-hdf5parallel/4.9.0.1
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module load cray-parallel-netcdf/1.12.3.1
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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setenv NETCDF_C_PATH $CRAY_NETCDF_HDF5PARALLEL_PREFIX
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setenv NETCDF_FORTRAN_PATH $CRAY_NETCDF_HDF5PARALLEL_PREFIX
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setenv PNETCDF_PATH $CRAY_PARALLEL_NETCDF_PREFIX
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{% endif %}
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setenv HDF5_USE_FILE_LOCKING FALSE

‎mache/spack/frontier_crayclanggpu_mpich.sh‎

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module reset >& /dev/null
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module switch PrgEnv-cray PrgEnv-cray/8.3.3 >& /dev/null
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module switch cce cce/15.0.1 >& /dev/null
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module switch craype craype/2.7.20 >& /dev/null
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module load craype-accel-amd-gfx90a
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module load rocm/5.4.0
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{% if e3sm_lapack %}
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module load cray-libsci/22.12.1.1
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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module load cray-hdf5-parallel/1.12.2.1
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module load cray-netcdf-hdf5parallel/4.9.0.1
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module load cray-parallel-netcdf/1.12.3.1
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{% endif %}
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{% if e3sm_hdf5_netcdf %}
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export NETCDF_C_PATH=$CRAY_NETCDF_HDF5PARALLEL_PREFIX
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export NETCDF_FORTRAN_PATH=$CRAY_NETCDF_HDF5PARALLEL_PREFIX
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export PNETCDF_PATH=$CRAY_PARALLEL_NETCDF_PREFIX
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{% endif %}
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export HDF5_USE_FILE_LOCKING=FALSE

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