Building Albany with Intel and OpenMPI on Chrysalis

build.sh

#!/bin/bash

spack_path=/lcrc/group/e3sm/$USER/spack_test/
export TMPDIR=/lcrc/group/e3sm/$USER/spack_temp/
run_dir=$PWD

module purge
module load cmake/3.19.1-yisciec
module load perl/5.32.0-bsnc6lt
module load intel/20.0.4-kodw73g
module load openmpi/4.1.3-pin4k7o
module load intel-mkl/2020.4.304-g2qaxzf
module load hdf5/1.10.7-eewgp6v
module load netcdf-c/4.4.1-ihoo4zq
module load netcdf-fortran/4.4.4-tplolxh
module load parallel-netcdf/1.11.0-gvcfihh

set -e

if [ -d $spack_path/spack_for_mache_1.8.0 ]; then
  cd $spack_path/spack_for_mache_1.8.0
  git fetch origin
  git reset --hard origin/spack_for_mache_1.8.0
else
  git clone -b spack_for_mache_1.8.0 git@github.com:E3SM-Project/spack.git $spack_path/spack_for_mache_1.8.0
  cd $spack_path/spack_for_mache_1.8.0
fi
source share/spack/setup-env.sh
spack env create dev_compass_1_2_0-alpha_2_intel_openmpi_albany $run_dir/dev_compass_1_2_0-alpha_2_intel_openmpi_albany.yaml
spack env activate dev_compass_1_2_0-alpha_2_intel_openmpi_albany
spack install

dev_compass_1_2_0-alpha_2_intel_openmpi_albany

spack:
  specs:
  - cmake
  - intel
  - openmpi

  - intel-mkl


  - hdf5
  - netcdf-c
  - netcdf-fortran
  - parallel-netcdf

  - esmf@8.2.0+mpi+netcdf~pio+pnetcdf
  - scorpio@1.3.2+pnetcdf~timing+internal-timing~tools+malloc
  - albany@develop+mpas

  concretizer:
    unify: true
  packages:
    all:
      compiler: [intel@20.0.4]
      providers:
        mpi: [openmpi@4.1.3]

        lapack: [intel-mkl@2020.4.304]

    bzip2:
      externals:
      - spec: bzip2@1.0.8
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/bzip2-1.0.8-6n3r43w
      buildable: false
    curl:
      externals:
      - spec: curl@7.72.0
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/curl-7.72.0-vn7k6yr
      buildable: false
    diffutils:
      externals:
      - spec: diffutils@3.7
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/diffutils-3.7-bml5fc4
      buildable: false
    libiconv:
      externals:
      - spec: libiconv@1.16
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/libiconv-1.16-hthrnaq
      buildable: false
    libxml2:
      externals:
      - spec: libxml2@2.9.10
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/libxml2-2.9.10-gav4atu
      buildable: false
    openssl:
      externals:
      - spec: openssl@1.1.1c
        prefix: /usr
      buildable: false
    xz:
      externals:
      - spec: xz@5.2.5
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/xz-5.2.5-xajm2b3
      buildable: false
    zlib:
      externals:
      - spec: zlib@1.2.11
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/zlib-1.2.11-dudhhig
      buildable: false
    cmake:
      externals:
      - spec: cmake@3.19.1
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/gcc-9.3.0/cmake-3.19.1-yisciec
        modules:
        - cmake/3.19.1-yisciec
      buildable: false
    perl:
      externals:
      - spec: perl@5.32.0
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/gcc-9.3.0/perl-5.32.0-bsnc6lt
        modules:
          - perl/5.32.0-bsnc6lt
      buildable: false
    intel:
      externals:
      - spec: intel@20.0.4
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/gcc-9.3.0/intel-20.0.4-kodw73g
        modules:
        - intel/20.0.4-kodw73g
      buildable: false
    openmpi:
      externals:
      - spec: openmpi@4.1.3
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/openmpi-4.1.3-pin4k7o
        modules:
        - openmpi/4.1.3-pin4k7o
      buildable: false
    intel-mkl:
      externals:
      - spec: intel-mkl@2020.4.304
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/intel-mkl-2020.4.304-g2qaxzf/compilers_and_libraries_2020.4.304
        modules:
        - intel-mkl/2020.4.304-g2qaxzf
      buildable: false

    hdf5:
      externals:
      - spec: hdf5@1.10.7+cxx+fortran+hl+mpi
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/hdf5-1.10.7-eewgp6v
        modules:
        - hdf5/1.10.7-eewgp6v
      buildable: false
    netcdf-c:
      externals:
      - spec: netcdf-c@4.4.1+mpi~parallel-netcdf
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/netcdf-c-4.4.1-ihoo4zq
        modules:
        - netcdf-c/4.4.1-ihoo4zq
      buildable: false
    netcdf-fortran:
      externals:
      - spec: netcdf-fortran@4.4.4
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/netcdf-fortran-4.4.4-tplolxh
        modules:
        - netcdf-fortran/4.4.4-tplolxh
      buildable: false
    parallel-netcdf:
      externals:
      - spec: parallel-netcdf@1.11.0+cxx+fortran
        prefix: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/intel-20.0.4/parallel-netcdf-1.11.0-gvcfihh
        modules:
        - parallel-netcdf/1.11.0-gvcfihh
      buildable: false

  config:
    install_missing_compilers: false
  compilers:
  - compiler:
      spec: intel@20.0.4
      paths:
        cc: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/gcc-9.3.0/intel-20.0.4-kodw73g/compilers_and_libraries_2020.4.304/linux/bin/intel64/icc
        cxx: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/gcc-9.3.0/intel-20.0.4-kodw73g/compilers_and_libraries_2020.4.304/linux/bin/intel64/icpc
        f77: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/gcc-9.3.0/intel-20.0.4-kodw73g/compilers_and_libraries_2020.4.304/linux/bin/intel64/ifort
        fc: /gpfs/fs1/soft/chrysalis/spack/opt/spack/linux-centos8-x86_64/gcc-9.3.0/intel-20.0.4-kodw73g/compilers_and_libraries_2020.4.304/linux/bin/intel64/ifort
      flags: {}
      operating_system: rhel8
      target: x86_64
      modules: []
      environment: {}
      extra_rpaths: []