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E4S 22.05 - Perlmutter

The e4s-22.05 stack is built using spack branch e4s-22.05 on Perlmutter using GCC and CCE compiler. This stack can be loaded by running -

module load e4s/22.05

Note

While loading e4s/22.05 module the following warning is given which can be ignored.

elvis@perlmutter> module load e4s/22.05
==> Warning: couldn't get environment settings for tcl@8.6.12 /33xjsgr
list index out of range

Here is a breakdown of the install specs by compiler:

Compiler Root Specs Implicit Specs Total Specs
gcc@11.2.0 109 278 387
cce@13.0.2 11 44 55
Total 120 322 442

Spack Configuration

When you load the e4s/22.05 module you will be in a spack environment named e4s, you can see your active environment by running the following:

elvis@perlmutter> spack env st
==> In environment e4s

The spack configuration is accessible on the filesystem by changing directories into the root e4s environment by running the following:

elvis@perlmutter> spack cd -e e4s
elvis@perlmutter> pwd && ls -l
/global/common/software/spackecp/perlmutter/e4s-22.05/spack/var/spack/environments/e4s
total 1004
-rw-rw-r-- 1 e4s spackecp 1009305 Jul 13 13:59 spack.lock
-rw-rw-r-- 1 e4s spackecp   17214 Jul 13 13:59 spack.yaml

The spack.yaml is the configuration file used to build the production stack.

Output of spack.yaml
spack:
    config:
        view: false
        concretization: separately
        build_stage: $spack/var/spack/stage
        misc_cache: $spack/var/spack/misc_cache
        concretizer: clingo
        install_tree:
          root: /global/common/software/spackecp/perlmutter/e4s-22.05/software
    mirrors:
        source_mirror: /global/common/software/spackecp/mirrors/source_mirror
    compilers:
    - compiler:
        spec: gcc@7.5.0
        paths:
            cc: /usr/bin/gcc
            cxx: /usr/bin/g++
            f77: /usr/bin/gfortran
            fc: /usr/bin/gfortran
        flags: {}
        operating_system: sles15
        target: any
        modules: []
    - compiler:
        spec: nvhpc@21.11
        paths:
            cc: /opt/cray/pe/craype/default/bin/cc
            cxx: /opt/cray/pe/craype/default/bin/CC
            f77: /opt/cray/pe/craype/default/bin/ftn
            fc: /opt/cray/pe/craype/default/bin/ftn
        flags: {}
        operating_system: sles15
        target: any
        modules:
        - PrgEnv-nvhpc
        - nvhpc/21.11
        - craype-x86-milan
        - libfabric
    - compiler:
        spec: gcc@11.2.0
        paths:
            cc: cc
            cxx: CC
            f77: ftn
            fc: ftn
        flags: {}
        operating_system: sles15
        target: any
        modules:
        - PrgEnv-gnu
        - gcc/11.2.0
        - craype-x86-milan
        - libfabric
        extra_rpaths: []
    - compiler:
        spec: cce@13.0.2
        paths:
            cc: /opt/cray/pe/craype/default/bin/cc
            cxx: /opt/cray/pe/craype/default/bin/CC
            f77: /opt/cray/pe/craype/default/bin/ftn
            fc: /opt/cray/pe/craype/default/bin/ftn
        flags: {}
        operating_system: sles15
        target: any
        modules:
        - PrgEnv-cray
        - cce/13.0.2
        - craype-x86-milan
        - libfabric
        environment: {}
        extra_rpaths: []
    modules:
      default:
        roots:
          tcl: /global/common/software/spackecp/perlmutter/e4s-22.05/modules
        enable:
        - tcl
        tcl:
          blacklist_implicits: true
          hash_length: 0
          naming_scheme: '{name}/{version}-{compiler.name}-{compiler.version}'
          all:
            autoload: direct
            conflict:
            - '{name}'
            environment:
              set:
                '{name}_ROOT': '{prefix}'
            suffixes:
              ^cuda: cuda
              #^mvapich2: mvapich2
          darshan-runtime:
            conflict:
            - darshan
          darshan-util:
            conflict:
            - darshan
          projections:
            all: '{name}/{version}-{compiler.name}-{compiler.version}'
            warpx dims=rz: '{name}/{version}-{compiler.name}-{compiler.version}-dims-rz'
            warpx dims=2: '{name}/{version}-{compiler.name}-{compiler.version}-dims-2'
            warpx dims=3: '{name}/{version}-{compiler.name}-{compiler.version}-dims-3'
          blacklist:
          - py-warpx

      prefix_inspections:
        bin:
        - PATH
        lib:
        - LIBRARY_PATH
        - LD_LIBRARY_PATH
        lib64:
        - LIBRARY_PATH
        - LD_LIBRARY_PATH
        include:
        - C_INCLUDE_PATH
        - CPLUS_INCLUDE_PATH
        - CPATH
        man:
        - MANPATH
        share/man:
        - MANPATH
        share/aclocal:
        - ACLOCAL_PATH
        lib/pkgconfig:
        - PKG_CONFIG_PATH
        lib64/pkgconfig:
        - PKG_CONFIG_PATH
        share/pkgconfig:
        - PKG_CONFIG_PATH
        ? ''
        : - CMAKE_PREFIX_PATH

    packages:
      all:
        compiler: [gcc@11.2.0, nvhpc@21.11, cce@13.0.2]
        providers:
          blas: [cray-libsci]
          mpi: [cray-mpich]
          #mpi: [cray-mpich, mvapich2]
        amrex:
          variants: +fortran +hypre +openmp +petsc +shared
        binutils:
          variants: +ld +gold +headers +libiberty ~nls
        bzip2:
          version: [1.0.6]
          externals:
          - spec: bzip2@1.0.6
            prefix: /usr
        cray-libsci:
          buildable: false
          externals:
          - spec: cray-libsci@21.08.1.2
            modules:
            - cray-libsci/21.08.1.2
        cray-mpich:
          buildable: false
          externals:
          - spec: cray-mpich@8.1.15 %gcc@11.2.0
            prefix: /opt/cray/pe/mpich/8.1.15/ofi/gnu/9.1
            modules:
            - cray-mpich/8.1.15
            - cudatoolkit/11.5
          - spec: cray-mpich@8.1.15 %nvhpc@21.11
            prefix: /opt/cray/pe/mpich/8.1.15/ofi/nvidia/20.7
            modules:
            - cray-mpich/8.1.15
            - cudatoolkit/11.5
          - spec: cray-mpich@8.1.15 %cce@13.0.2
            prefix: /opt/cray/pe/mpich/8.1.15/ofi/cray/10.0/
            modules:
            - cray-mpich/8.1.15
            - cudatoolkit/11.5
        cray-pmi:
          buildable: false
          externals:
          - spec: cray-pmi@6.1.1
            modules:
            - cray-pmi/6.1.1
        cuda:
          buildable: false
          version: [11.5.0]
          externals:
          - spec: cuda@11.5.0
            prefix: /opt/nvidia/hpc_sdk/Linux_x86_64/21.11/cuda/11.5
            modules:
            - cudatoolkit/11.5
        cub:
          buildable: false
          externals:
          - spec: cub@1.13.1
            prefix: /opt/nvidia/hpc_sdk/Linux_x86_64/21.11/math_libs/11.5
            modules:
            - cudatoolkit/11.5
        curl:
          buildable: false
          externals:
          - spec: curl@7.66.0
            prefix: /usr
        diffutils:
          version: [3.6]
          externals:
          - spec: diffutils@3.6
            prefix: /usr
        elfutils:
          variants: +bzip2 ~nls
        findutils:
          version: [4.6.0]
          externals:
          - spec: findutils@4.6.0
            prefix: /usr
        hdf5:
          variants: +fortran +hl +shared api=v18
          version: [1.12.1]
        hypre:
          variants: +openmp +superlu-dist
        git:
          version: [2.26.2]
          buildable: false
          externals:
          - spec: git@2.26.2
            prefix: /usr
        libfabric:
          buildable: false
          variants: fabrics=sockets,tcp,udp,rxm
          externals:
          - spec: libfabric@1.11.0.4.114
            prefix: /opt/cray/libfabric/1.11.0.4.114
            modules:
            - libfabric/1.11.0.4.114
        libunwind:
          variants: +pic +xz
        mercury:
          variants: ~bmi
        mesa:
          variants: ~llvm
        mesa18:
          variants: ~llvm
        m4:
          buildable: false
          externals:
          - spec: m4@1.4.18
            prefix: /usr
        mpich:
          variants: ~wrapperrpath

        # remove mvapich2 for now  will use this later
        #mvapich2:
        #  externals:
        #  - spec: mvapich2@2.3.7 %gcc@11.2.0
        #    prefix: /global/cfs/cdirs/m3896/shared/opt/mvapich2/gdr/2.3.7/no-mpittool/no-openacc/cuda11.5/crayofed5.1/slurm/gnu11.2.0/
        #    environment:
        #      prepend_path:
        #        MODULEPATH: /global/cfs/cdirs/m3896/shared/modulefiles
        #    modules: [mvapich2/2.3.7]
        #  buildable: false
        ncurses:
          variants: +termlib
          externals:
          - spec: ncurses@6.1
            prefix: /usr
        openssl:
          version: [1.1.0i]
          buildable: false
          externals:
          - spec: openssl@1.1.0i
            prefix: /usr
        openssh:
          version: [7.9p1]
          buildable: false
          externals:
          - spec: openssh@7.9p1
            prefix: /usr
        petsc:
          variants: +openmp +strumpack
        pdsh:
          buildable: false
          externals:
          - spec: pdsh@2.34
            prefix: /usr
        python:
          version: [3.8.13]
        readline:
          version: [7.0]
          buildable: false
          externals:
          - spec: readline@7.0
            prefix: /usr
        slurm:
          buildable: false
          version: [20-11-8-1]
          externals:
          - spec: slurm@20-11-8-1
            prefix: /usr
        superlu-dist:
          variants: +openmp
        strumpack:
          variants: ~slate ~butterflypack
        tar:
          version: [1.3]
          buildable: false
          externals:
          - spec: tar@1.30
            prefix: /usr
        trilinos:
          variants: +amesos +amesos2 +anasazi +aztec +belos +boost +epetra +epetraext
            +ifpack +ifpack2 +intrepid +intrepid2 +isorropia +kokkos +ml +minitensor +muelu
            +nox +piro +phalanx +rol +rythmos +sacado +stk +shards +shylu +stokhos +stratimikos
            +teko +tempus +tpetra +trilinoscouplings +zoltan +zoltan2 +superlu-dist gotype=long_long
        unzip:
          version: [6.0]
          buildable: false
          externals:
          - spec: unzip@6.0
            prefix: /usr
        util-linux-uuid:
          version: [2.33.1]
          buildable: false
          externals:
          - spec: util-linux-uuid@2.33.1
            prefix: /usr
        zsh:
          version: [5.6]
          buildable: false
          externals:
          - spec: zsh@5.6
            prefix: /usr
    definitions:
    - gcc_compilers: ['%gcc@11.2.0']
    - nvhpc_compilers: ['%nvhpc@21.11']
    - cce_compilers: ['%cce@13.0.2']
    - gcc_specs:
      - adios2@2.8.0
      - aml@0.1.0
      - amrex@22.05
      - arborx@1.2
      - argobots@1.1
      - axom@0.6.1
      - bolt@2.0
      - butterflypack@2.1.1
      - cabana@0.4.0
      - caliper@2.7.0 ~libunwind
      - chai@2.4.0 ~benchmarks ~tests
      - conduit@0.8.3
      - darshan-runtime@3.3.1
      - darshan-util@3.3.1
      - datatransferkit@3.1-rc3
      - dyninst@12.1.0
      - faodel@1.2108.1
      - flecsi@1.4.2
      - flit@2.1.0
      - fortrilinos@2.0.0
      - gasnet@2022.3.0
      - ginkgo@1.4.0
      - globalarrays@5.8
      - gotcha@1.0.3
      - hdf5@1.10.7 +fortran +hl +shared
      - heffte@2.2.0 +fftw
      - hpctoolkit@2022.04.15
      - hpx@1.7.1 networking=mpi
      - hypre@2.24.0
      - kokkos@3.6.00 +openmp
      - kokkos-kernels@3.6.00 +openmp
      - lammps@20220107
      - legion@21.03.0
      - libquo@1.3.1
      - mercury@2.1.0
      - metall@0.20
      - mfem@4.4.0
      - mpark-variant@1.4.0
      - nccmp@1.9.0.1
      - nco@5.0.1
      - omega-h@9.34.1
      - openblas@0.3.20 threads=openmp
      - openpmd-api@0.14.4
      - papi@6.0.0.1
      - papyrus@1.0.2
      - parallel-netcdf@1.12.2
      - paraview@5.10.1 +qt
      - parsec@3.0.2012 ~cuda
      - pdt@3.25.1
      - petsc@3.17.1
      - phist@1.9.5
      - plasma@21.8.29 ^openblas
      - pumi@2.2.7
      - py-warpx@22.05 ^warpx dims=2 ^openblas
      - py-warpx@22.05 ^warpx dims=3 ^openblas
      - py-warpx@22.05 ^warpx dims=rz ^openblas
      - qthreads@1.16 scheduler=distrib
      - raja@0.14.0
      - scr@3.0rc2
      - slate@2021.05.02 ~cuda
      - slepc@3.17.1
      - stc@0.9.0
      - strumpack@6.3.1 ~slate
      - sundials@6.2.0
      - superlu@5.3.0
      - superlu-dist@7.2.0
      - swig@4.0.2
      - swig@4.0.2-fortran
      - sz@2.1.12
      - tasmanian@7.7
      - trilinos@13.0.1 +amesos +amesos2 +anasazi +aztec +belos +boost +epetra +epetraext
      +ifpack +ifpack2 +intrepid +intrepid2 +isorropia +kokkos +ml +minitensor +muelu
      +nox +piro +phalanx +rol +rythmos +sacado +stk +shards +shylu +stokhos +stratimikos
      +teko +tempus +tpetra +trilinoscouplings +zoltan +zoltan2 +superlu-dist gotype=long_long
      - turbine@1.3.0
      - umap@2.1.0
      - umpire@6.0.0
      - unifyfs@0.9.2
      - veloc@1.5
      - vtk-m@1.7.1
      - zfp@0.5.5
      #- ascent@0.8.0     # ascent (DIFFERENT ERROR in ParaTools deployment %gcc@11.2.0)
      #- plumed@2.6.3     # plumed (SAME ERROR in ParaTools deployment %gcc@11.2.0)
      #- upcxx@2022.3.0   # upcxx (SAME ERROR in ParaTools deployment %gcc@11.2.0)
      #- variorum@0.4.1   # variorum (SAME ERROR in ParaTools deployment %gcc@11.2.0)
      #- wannier90@3.1.0  # wannier90 (SAME ERROR in ParaTools deployment %gcc@11.2.0)
      # ascent: Could NOT find MPI_C (missing: MPI_C_LIB_NAMES) (found version "3.1")
      # plumed: tools/../../tools/lepton/../../lepton/Operation.h:902:39: error: 'numeric_limits' is not a member of 'std'
      # upcxx (1/2): gcc: error: unrecognized command-line option '--param=max-inline-insns=100000'; did you mean '--param=max-inline-insns-auto='?
      # upcxx (2/2): configure error: Requested PMI version cray could not be found
      # variorum (1/2): make[2]: *** [variorum/CMakeFiles/variorum.dir/build.make:196: variorum/libvariorum.so] Error 1
      # variorum (2/2): /usr/bin/ld: Intel/CMakeFiles/variorum_intel.dir/msr_core.c.o:(.bss+0x0): multiple definition of `g_platform'; CMakeFiles/variorum.dir/config_architecture.c.o:(.bss+0x0): first defined here
      # wannier90: Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(4)).

    #- nvhpc_specs:
      #  cmake-3.23.1-vdusj6eiqf6zaokep45jai4qtl7fcyzl failed

    - cce_specs:
      - adios2@2.8.0
      - hdf5@1.10.7 +fortran +hl +shared
      - hypre@2.24.0
      - kokkos-kernels@3.6.00 +openmp
      - kokkos@3.6.00 +openmp
      - petsc@3.17.1 ~strumpack
      - raja@0.14.0
      - slepc@3.17.1 ^petsc@3.17.1 ~strumpack
      - sundials@6.2.0
      - superlu-dist@7.2.0
      - superlu@5.3.0
      #- openblas@0.3.20 threads=openmp   # openblas (SAME ERROR in ParaTools deployment %cce@14.0.0)
      #- strumpack@6.3.1 ~slate           # butterflypack
      # openblas: ftn-2307 ftn: ERROR in command line The "-m" option must be followed by 0, 1, 2, 3 or 4. ftn-2103 ftn: WARNING in command line.The -W all option is not supported or invalid and will be ignored.

    - cuda_specs:
      - adios2@2.8.0 +cuda cuda_arch=80
      - arborx@1.2 +cuda cuda_arch=80 ^kokkos@3.6.00 +wrapper
      - cabana@0.4.0 +cuda ^kokkos@3.6.00 +wrapper +cuda_lambda +cuda cuda_arch=80
      - caliper@2.7.0 +cuda cuda_arch=80
      - chai@2.4.0 ~benchmarks ~tests +cuda cuda_arch=80 ^umpire@6.0.0 ~shared
      - ginkgo@1.4.0 +cuda cuda_arch=80
      - hpctoolkit@2022.04.15 +cuda
      - hypre@2.24.0 +cuda cuda_arch=80
      - kokkos@3.6.00 +wrapper +cuda cuda_arch=80
      - kokkos-kernels@3.6.00 +cuda cuda_arch=80 ^kokkos@3.6.00 +wrapper +cuda cuda_arch=80
      - mfem@4.4.0 +cuda cuda_arch=80
      - papi@6.0.0.1 +cuda
      - petsc@3.17.1+cuda cuda_arch=80
      - raja@0.14.0 +cuda cuda_arch=80
      - slate@2021.05.02 +cuda cuda_arch=80
      - slepc@3.17.1 +cuda cuda_arch=80
      - strumpack@6.3.1 ~slate +cuda cuda_arch=80
      - tau@2.31.1 +mpi +cuda
      - umpire@6.0.0 ~shared +cuda cuda_arch=80
      - zfp@0.5.5 +cuda cuda_arch=80  
      #- heffte@2.2.0 +cuda cuda_arch=80        # heffte (WORKED in ParaTools deployment %gcc@11.2.0)
      #- hpx@1.7.1 +cuda cuda_arch=80           # hpx (WORKED in ParaTools deployment %gcc@11.2.0)
      #- magma@2.6.2 +cuda cuda_arch=80         # magma (WORKED in ParaTools deployment %gcc@11.2.0)
      #- parsec@3.0.2012 +cuda cuda_arch=80     # parsec (SAME ERROR in ParaTools deployment %gcc@11.2.0)
      #- sundials@6.2.0 +cuda cuda_arch=80      # sundials (WORKED in ParaTools deployment %gcc@11.2.0)
      #- superlu-dist@7.2.0 +cuda cuda_arch=80  # superlu-dist (WORKED in ParaTools deployment %gcc@11.2.0)
      #- tasmanian@7.7 +cuda cuda_arch=80       # tasmanian (WORKED in ParaTools deployment %gcc@11.2.0)
      #- trilinos@13.2.0 +cuda cuda_arch=80     # trilinos (SAME ERROR in ParaTools deployment %gcc@11.2.0)
      #- vtk-m@1.7.1 +cuda cuda_arch=80         # vtk-m (DIFF ERROR in ParaTools deployment %gcc@11.2.0)
      # heffte: CMake Error: The following variables are used in this project, but they are set to NOTFOUND: CUDA_cufft_LIBRARY
      # hpx: CMake Error: The following variables are used in this project, but they are set to NOTFOUND: CUDA_cublas_LIBRARY
      # magma: CMake Error: The following variables are used in this project, but they are set to NOTFOUND: CUDA_cublas_LIBRARY
      # parsec: transfer.c:168: multiple definition of `parsec_CUDA_d2h_max_flows';
      # sundials: spack-src/examples/sunmatrix/cusparse/test_sunmatrix_cusparse.cu:167: undefined reference to `cusparseCreate'
      # superlu-dist: make[2]: *** No rule to make target '/opt/nvidia/hpc_sdk/Linux_x86_ 64/21.11/cuda/11.5/lib64/libcublas.so', needed by 'SRC/CMakeFiles/superlu_dist.dir/cmake_device_link.o'.
      # tasmanian: CMake Error at /global/cfs/cdirs/m3503/ci-builds/perlmutter/yUW7FC66... /Modules/FindPackageHandleStandardArgs.cmake:230 (message): Could NOT find TasmanianCudaMathLibs
      # trilinos +cuda: CMake Error at /global/cfs....CMakeTestCXXCompiler.cmake:62 (message): The C++ compiler "/opt/cray/pe/mpich/8.1.13/ofi/gnu/9.1/bin/mpicxx" is not able to compile a simple test program.
      # vtk-m: spack-src/vtkm/internal/brigand.hpp:1061:131: error: expected class-name before '{' token struct find<true, false, L1, L2, Ls...> : find<true , F<Ts..., L2>::value, L2, Ls...>

    - nersc_specs:
      - berkeleygw@3.0.1
      - chapel@1.24.1
      - cp2k +cuda cuda_arch=70 +elpa +cosma ^openblas
      - gnuplot@5.4.3 +X
      - gromacs@2021.5
      - gsl@2.7
      - metis@5.1.0
      - parmetis@4.0.3
      - parallel
      - parallel-netcdf@1.12.2
      - nano
      - ncview@2.1.8
      # concretization issue with py-tensorflow
      #- py-tensorflow +cuda cuda_arch=80 +gdr +tensorrt

    - mvapich2_specs:
      - adios2@2.8.0
      - adios2@2.8.0 +cuda cuda_arch=80
      - hdf5@1.10.7 +fortran +hl +shared
      - hpx@1.7.1 networking=mpi
      - hypre@2.24.0
      - hypre@2.24.0 +cuda cuda_arch=80
      - mpifileutils@0.11.1 ~xattr
      - lammps@20220107
      - parmetis@4.0.3
      - parallel-netcdf@1.12.2
      - strumpack@6.3.1 ~slate
      - strumpack@6.3.1 ~slate +cuda cuda_arch=80
      - sundials@6.2.0
      - superlu-dist@7.2.0
      - wannier90@3.1.0  
      #- amrex@22.05                          # petsc
      #- petsc@3.17.1                         # petsc
      #- petsc@3.17.1+cuda cuda_arch=80       # petsc
      #- slepc@3.17.1                         # arpack-ng
      #- slepc@3.17.1 +cuda cuda_arch=80      # arpack-ng
      #- trilinos@13.0.1                      # trilinos
      # arpack-ng (1/2): Warning: Headers from cray-libsci/21.08.1.2 will be ignored because depends on PE_MPICH which is unavailable;
      # arpack-ng (2/2): /usr/bin/ld: /opt/cray/pe/libsci/21.08.1.2/GNU/9.1/x86_64/lib/libsci_gnu.so: undefined reference to `dlopen'
      # trilinos@13.0.1: CMakeTestCXXCompiler.cmake:62: The C++ compiler "/opt/cray/pe/mpich/8.1.15/ofi/gnu/9.1/bin/mpicxx" is not able to compile a simple test program.

    specs:
    - matrix:
      - [$gcc_specs]
      - [$gcc_compilers]
    - matrix:
      - [$cuda_specs]
      - [$gcc_compilers]
    - matrix:
      - [$cce_specs]
      - [$cce_compilers]
    - matrix:
      - [$nersc_specs]
      - [$gcc_compilers]
    #- matrix:
    #  - [$mvapich2_specs]
    #  - [$gcc_compilers]
    #  - [^mvapich2@2.3.7]

Overview

You can see all available packages via spack find. Shown below is breakdown of all packages with their variants.

Output of spack find
elvis@perlmutter> spack find --format "{name}@{version}%{compiler} {variants}"
adiak@0.2.1%gcc@11.2.0 ~ipo+mpi+shared build_type=RelWithDebInfo
adios2@2.8.0%cce@13.0.2 +blosc+bzip2~cuda~dataman~dataspaces+fortran~hdf5~ipo+mpi+pic+png~python+shared+ssc+sst+sz+zfp build_type=Release
adios2@2.8.0%gcc@11.2.0 +blosc+bzip2~cuda~dataman~dataspaces+fortran~hdf5~ipo+mpi+pic+png~python+shared+ssc+sst+sz+zfp build_type=Release
adios2@2.8.0%gcc@11.2.0 +blosc+bzip2+cuda~dataman~dataspaces+fortran~hdf5~ipo+mpi+pic+png~python+shared+ssc+sst+sz+zfp build_type=Release cuda_arch=80
adlbx@1.0.0%gcc@11.2.0
aml@0.1.0%gcc@11.2.0
amrex@22.05%gcc@11.2.0 ~amrdata~cuda~eb+fortran~hdf5+hypre~ipo+linear_solvers+mpi+openmp~particles+petsc~pic~plotfile_tools~rocm+shared~sundials~tiny_profile build_type=RelWithDebInfo dimensions=3 precision=double
ant@1.10.7%gcc@11.2.0
antlr@2.7.7%gcc@11.2.0 +cxx~java~python patches=33897ad
arborx@1.2%gcc@11.2.0 ~cuda~ipo+mpi~openmp~rocm+serial~sycl~trilinos build_type=RelWithDebInfo
arborx@1.2%gcc@11.2.0 +cuda~ipo+mpi~openmp~rocm+serial~sycl~trilinos build_type=RelWithDebInfo cuda_arch=80
argobots@1.1%gcc@11.2.0 ~affinity~debug+perf~stackunwind~tool~valgrind stackguard=none
arpack-ng@3.8.0%cce@13.0.2 +mpi+shared
arpack-ng@3.8.0%gcc@11.2.0 +mpi+shared
asio@1.21.0%gcc@11.2.0 ~boost_coroutine~boost_regex~separate_compilation cxxstd=17
assimp@5.2.3%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
autoconf@2.69%gcc@11.2.0  patches=35c4492,7793209,a49dd5b
automake@1.16.5%gcc@11.2.0
axl@0.3.0%gcc@11.2.0 +bbapi~bbapi_fallback~dw~ipo+shared async_api=daemon build_type=RelWithDebInfo
axl@0.5.0%gcc@11.2.0 +bbapi~bbapi_fallback~dw~ipo+shared async_api=daemon build_type=RelWithDebInfo
axom@0.6.1%gcc@11.2.0 +cpp14~cuda~debug~devtools+examples+fortran+hdf5~ipo+lua~mfem+mpi+openmp~python+raja~scr+shared+tools+umpire build_type=RelWithDebInfo patches=68a3ae8
bdftopcf@1.0.5%gcc@11.2.0
berkeley-db@18.1.40%gcc@11.2.0 +cxx~docs+stl patches=b231fcc
berkeleygw@3.0.1%gcc@11.2.0 ~debug+elpa+hdf5+mpi+openmp~python+scalapack~verbose
binutils@2.38%gcc@11.2.0 ~gas+gold+headers~interwork+ld+libiberty~lto~nls+plugins libs=shared,static
bison@3.8.2%gcc@11.2.0
blaspp@2021.04.01%gcc@11.2.0 ~cuda~ipo+openmp~rocm+shared build_type=RelWithDebInfo
blaspp@2021.04.01%gcc@11.2.0 ~cuda~ipo+openmp~rocm+shared build_type=RelWithDebInfo
blaspp@2021.04.01%gcc@11.2.0 +cuda~ipo+openmp~rocm+shared build_type=RelWithDebInfo cuda_arch=none
blt@0.4.1%cce@13.0.2
blt@0.4.1%gcc@11.2.0
bolt@2.0%gcc@11.2.0 ~ipo build_type=RelWithDebInfo
boost@1.79.0%gcc@11.2.0 ~atomic~chrono~clanglibcpp~container~context~contract~coroutine~date_time~debug~exception~fiber~filesystem~graph~graph_parallel~icu~iostreams~json~locale~log~math~mpi+multithreaded~nowide~numpy~pic+program_options~python~random~regex~serialization+shared~signals~singlethreaded~stacktrace~system~taggedlayout~test~thread~timer~type_erasure~versionedlayout~wave cxxstd=17 patches=57a8401,a440f96 visibility=hidden
boost@1.79.0%gcc@11.2.0 +atomic+chrono~clanglibcpp~container~context~contract~coroutine+date_time~debug+exception~fiber+filesystem+graph~graph_parallel~icu+iostreams~json+locale+log+math~mpi+multithreaded~nowide~numpy~pic+program_options~python+random+regex+serialization+shared+signals~singlethreaded~stacktrace+system~taggedlayout+test+thread+timer~type_erasure~versionedlayout+wave cxxstd=17 patches=57a8401,a440f96 visibility=hidden
boost@1.79.0%gcc@11.2.0 +atomic+chrono~clanglibcpp~container~context~contract~coroutine+date_time~debug~exception~fiber+filesystem~graph~graph_parallel~icu~iostreams~json~locale~log~math~mpi+multithreaded~nowide~numpy~pic~program_options~python~random~regex~serialization+shared~signals~singlethreaded~stacktrace+system~taggedlayout~test+thread+timer~type_erasure~versionedlayout~wave cxxstd=98 patches=57a8401,a440f96 visibility=hidden
boost@1.79.0%gcc@11.2.0 +atomic+chrono~clanglibcpp~container~context~contract~coroutine+date_time~debug~exception~fiber+filesystem+graph~graph_parallel~icu~iostreams~json~locale~log~math~mpi+multithreaded~nowide~numpy~pic~program_options~python~random+regex~serialization+shared~signals~singlethreaded~stacktrace+system~taggedlayout~test+thread+timer~type_erasure~versionedlayout~wave cxxstd=98 patches=57a8401,a440f96 visibility=global
boost@1.79.0%gcc@11.2.0 +atomic+chrono~clanglibcpp~container~context~contract~coroutine+date_time~debug+exception~fiber+filesystem+graph~graph_parallel~icu+iostreams~json+locale+log+math~mpi+multithreaded~nowide~numpy~pic+program_options~python+random+regex+serialization+shared+signals~singlethreaded~stacktrace+system~taggedlayout+test+thread+timer~type_erasure~versionedlayout+wave cxxstd=98 patches=57a8401,a440f96 visibility=hidden
boost@1.79.0%gcc@11.2.0 +atomic+chrono~clanglibcpp+container~context~contract~coroutine+date_time~debug+exception~fiber~filesystem~graph~graph_parallel~icu~iostreams~json+locale+log~math~mpi+multithreaded~nowide~numpy~pic+program_options~python~random+regex+serialization+shared~signals~singlethreaded~stacktrace+system~taggedlayout~test+thread~timer~type_erasure~versionedlayout~wave cxxstd=98 patches=57a8401,a440f96 visibility=hidden
butterflypack@2.1.1%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
bzip2@1.0.6%cce@13.0.2 ~debug~pic+shared
bzip2@1.0.6%gcc@11.2.0 ~debug~pic+shared
c-blosc@1.21.1%cce@13.0.2 +avx2~ipo build_type=RelWithDebInfo
c-blosc@1.21.1%gcc@11.2.0 +avx2~ipo build_type=RelWithDebInfo
cabana@0.4.0%gcc@11.2.0 ~arborx~cuda~heffte~hypre~ipo+mpi~openmp~pthread~rocm+serial+shared~sycl build_type=RelWithDebInfo
cabana@0.4.0%gcc@11.2.0 ~arborx+cuda~heffte~hypre~ipo+mpi~openmp~pthread~rocm+serial+shared~sycl build_type=RelWithDebInfo
cairo@1.16.0%gcc@11.2.0 ~X~fc+ft~gobject+pdf~png~svg patches=7c4da77
cairo@1.16.0%gcc@11.2.0 ~X+fc+ft+gobject+pdf~png~svg patches=7c4da77
caliper@2.7.0%gcc@11.2.0 +adiak~cuda~fortran+gotcha~ipo+libdw~libpfm~libunwind+mpi+papi+sampler+shared~sosflow build_type=RelWithDebInfo
caliper@2.7.0%gcc@11.2.0 +adiak+cuda~fortran+gotcha~ipo+libdw~libpfm+libunwind+mpi+papi+sampler+shared~sosflow build_type=RelWithDebInfo cuda_arch=80
camp@0.2.2%cce@13.0.2 ~cuda~ipo~rocm~tests build_type=RelWithDebInfo
camp@0.2.2%gcc@11.2.0 ~cuda~ipo~rocm~tests build_type=RelWithDebInfo
camp@0.2.2%gcc@11.2.0 +cuda~ipo~rocm~tests build_type=RelWithDebInfo cuda_arch=80
chai@2.4.0%gcc@11.2.0 ~benchmarks~cuda~enable_pick+examples~ipo~openmp~raja~rocm+shared~tests build_type=RelWithDebInfo
chai@2.4.0%gcc@11.2.0 ~benchmarks+cuda~enable_pick+examples~ipo~openmp~raja~rocm+shared~tests build_type=RelWithDebInfo cuda_arch=80
chapel@1.24.1%gcc@11.2.0
cinch@master%gcc@11.2.0
cli11@1.9.1%gcc@11.2.0 ~ipo build_type=RelWithDebInfo
cmake@3.23.1%cce@13.0.2 ~doc+ncurses~ownlibs~qt build_type=Release
cmake@3.23.1%cce@13.0.2 ~doc+ncurses~ownlibs~qt build_type=Release
cmake@3.23.1%gcc@11.2.0 ~doc+ncurses~ownlibs~qt build_type=Release
cmake@3.23.1%gcc@11.2.0 ~doc+ncurses~ownlibs~qt build_type=Release
cmake@3.23.1%gcc@11.2.0 ~doc+ncurses~ownlibs~qt build_type=Release
cmake@3.23.1%gcc@11.2.0 ~doc+ncurses+ownlibs~qt build_type=Release
conduit@0.8.3%gcc@11.2.0 ~adios+blt_find_mpi~doc~doxygen+fortran+hdf5+hdf5_compat~ipo+mpi+parmetis~python+shared~silo+test~zfp build_type=RelWithDebInfo
cosma@2.5.1%gcc@11.2.0 +cuda~ipo~rocm+scalapack build_type=RelWithDebInfo
cp2k@9.1%gcc@11.2.0 +cosma+cuda~cuda_arch_35_k20x~cuda_fft+elpa+libint~libvori+libxc+mpi+openmp~pexsi~plumed~sirius~spglib cuda_arch=70 lmax=5 smm=libxsmm
cray-libsci@21.08.1.2%cce@13.0.2 ~mpi~openmp+shared
cray-libsci@21.08.1.2%gcc@11.2.0 ~mpi~openmp+shared
cray-mpich@8.1.15%cce@13.0.2 +wrappers
cray-mpich@8.1.15%gcc@11.2.0 +wrappers
cub@1.13.1%gcc@11.2.0
cuda@11.5.0%gcc@11.2.0 ~allow-unsupported-compilers~dev
curl@7.66.0%cce@13.0.2 ~gssapi~ldap~libidn2~librtmp~libssh~libssh2~nghttp2 libs=shared,static tls=openssl
curl@7.66.0%gcc@11.2.0 ~gssapi~ldap~libidn2~librtmp~libssh~libssh2~nghttp2 libs=shared,static tls=openssl
darshan-runtime@3.3.1%gcc@11.2.0 ~apmpi~apmpi_sync~apxc~hdf5+mpi scheduler=NONE
darshan-util@3.3.1%gcc@11.2.0 ~apmpi~apxc~bzip2
datatransferkit@3.1-rc3%gcc@11.2.0 ~external-arborx~ipo~openmp+serial+shared build_type=RelWithDebInfo
diffutils@3.6%cce@13.0.2
diffutils@3.6%gcc@11.2.0
double-conversion@3.1.5%gcc@11.2.0 ~ipo build_type=RelWithDebInfo
dtcmp@1.1.4%gcc@11.2.0 +shared
dyninst@12.1.0%gcc@11.2.0 ~ipo+openmp~stat_dysect~static build_type=RelWithDebInfo
dyninst@12.1.0%gcc@11.2.0 ~ipo+openmp~stat_dysect~static build_type=RelWithDebInfo
eigen@3.4.0%gcc@11.2.0 ~ipo build_type=RelWithDebInfo
elfutils@0.186%gcc@11.2.0 +bzip2~debuginfod~nls~xz
elfutils@0.186%gcc@11.2.0 +bzip2~debuginfod~nls+xz
elpa@2021.11.001%gcc@11.2.0 ~autotune~cuda+mpi+openmp~rocm
elpa@2021.11.001%gcc@11.2.0 ~cuda+mpi+openmp~rocm
er@0.1.0%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
er@0.1.0%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
exmcutils@0.6.0%gcc@11.2.0
expat@2.4.8%cce@13.0.2 +libbsd
expat@2.4.8%gcc@11.2.0 +libbsd
faodel@1.2108.1%gcc@11.2.0 ~hdf5~ipo+mpi+shared+tcmalloc build_type=RelWithDebInfo logging=stdout network=nnti serializer=xdr
ffmpeg@4.4.1%gcc@11.2.0 ~X~avresample+bzlib~drawtext+gpl~libaom~libmp3lame~libopenjpeg~libopus~libsnappy~libspeex~libssh~libvorbis~libvpx~libwebp~libx264~libzmq~lzma~nonfree~openssl~sdl2+shared+version3
fftw@3.3.10%gcc@11.2.0 +mpi~openmp~pfft_patches precision=double,float
fftw@3.3.10%gcc@11.2.0 +mpi+openmp~pfft_patches precision=double,float
findutils@4.6.0%gcc@11.2.0
flecsi@1.4.2%gcc@11.2.0 ~coverage~cuda~debug_backend~disable_metis~doc~doxygen+external_cinch~flecstan~flog~graphviz+hdf5~ipo~kokkos~openmp+shared~tutorial~unit_tests backend=mpi build_type=RelWithDebInfo caliper_detail=none
flex@2.6.3%gcc@11.2.0 +lex~nls
flit@2.1.0%gcc@11.2.0
font-util@1.3.2%gcc@11.2.0  fonts=encodings,font-adobe-100dpi,font-adobe-75dpi,font-adobe-utopia-100dpi,font-adobe-utopia-75dpi,font-adobe-utopia-type1,font-alias,font-arabic-misc,font-bh-100dpi,font-bh-75dpi,font-bh-lucidatypewriter-100dpi,font-bh-lucidatypewriter-75dpi,font-bh-type1,font-bitstream-100dpi,font-bitstream-75dpi,font-bitstream-speedo,font-bitstream-type1,font-cronyx-cyrillic,font-cursor-misc,font-daewoo-misc,font-dec-misc,font-ibm-type1,font-isas-misc,font-jis-misc,font-micro-misc,font-misc-cyrillic,font-misc-ethiopic,font-misc-meltho,font-misc-misc,font-mutt-misc,font-schumacher-misc,font-screen-cyrillic,font-sun-misc,font-winitzki-cyrillic,font-xfree86-type1
fontconfig@2.13.94%gcc@11.2.0
fontconfig@2.13.94%gcc@11.2.0
fontsproto@2.1.3%gcc@11.2.0
fortrilinos@2.0.0%gcc@11.2.0 +hl~ipo+shared build_type=RelWithDebInfo
freetype@2.11.1%gcc@11.2.0
fribidi@1.0.12%gcc@11.2.0
gasnet@2022.3.0%gcc@11.2.0 ~cuda~debug~rocm conduits=smp
gdbm@1.19%gcc@11.2.0
gdbm@1.23%cce@13.0.2
gdbm@1.23%gcc@11.2.0
gettext@0.21%cce@13.0.2 +bzip2+curses+git~libunistring+libxml2+tar+xz
gettext@0.21%gcc@11.2.0 +bzip2+curses+git~libunistring+libxml2+tar+xz
gettext@0.21%gcc@11.2.0 +bzip2+curses+git~libunistring+libxml2+tar+xz
ginkgo@1.4.0%gcc@11.2.0 ~cuda~develtools~full_optimizations~hwloc~ipo~oneapi+openmp~rocm+shared build_type=Release patches=43e571a
ginkgo@1.4.0%gcc@11.2.0 +cuda~develtools~full_optimizations~hwloc~ipo~oneapi+openmp~rocm+shared build_type=Release cuda_arch=80 patches=43e571a
git@2.26.2%gcc@11.2.0 +man+nls+perl+subtree~svn~tcltk
glib@2.72.1%gcc@11.2.0 ~libmount patches=b3fd450 tracing=none
glib@2.72.1%gcc@11.2.0 ~libmount patches=b3fd450 tracing=none
globalarrays@5.8%gcc@11.2.0 ~scalapack armci=mpi-ts
glproto@1.4.17%gcc@11.2.0
gmake@4.3%gcc@11.2.0 ~guile+nls
gmp@6.2.1%gcc@11.2.0  libs=shared,static
gnuplot@5.4.3%gcc@11.2.0 +X+cairo+gd+libcerf~pbm~qt~wx patches=ad89f23
gobject-introspection@1.56.1%gcc@11.2.0  patches=6f90bb2,7700828
googletest@1.8.1%gcc@11.2.0 +gmock~ipo+pthreads+shared build_type=RelWithDebInfo
googletest@1.10.0%gcc@11.2.0 ~gmock~ipo+pthreads+shared build_type=RelWithDebInfo
gotcha@1.0.3%gcc@11.2.0 ~ipo~test build_type=RelWithDebInfo
gotcha@1.0.3%gcc@11.2.0 ~ipo~test build_type=RelWithDebInfo
gperf@3.1%gcc@11.2.0
gperftools@2.9.1%gcc@11.2.0 +debugalloc~dynamic_sized_delete_support+libunwind~sized_delete
gromacs@2021.5%gcc@11.2.0 ~blas~cuda~cycle_subcounters~double+hwloc~ipo~lapack~mdrun_only+mpi~nosuffix~opencl+openmp~plumed~relaxed_double_precision+shared~sycl build_type=RelWithDebInfo
gsl@2.7%gcc@11.2.0 ~external-cblas
gsl@2.7.1%gcc@11.2.0 ~external-cblas
harfbuzz@4.2.1%gcc@11.2.0 ~graphite2~strip buildtype=debugoptimized default_library=shared
harfbuzz@4.2.1%gcc@11.2.0 ~graphite2~strip buildtype=debugoptimized default_library=shared
hdf5@1.8.22%gcc@11.2.0 ~cxx+fortran+hl~ipo~java+mpi+shared~szip~threadsafe+tools api=v18 build_type=RelWithDebInfo
hdf5@1.10.7%cce@13.0.2 ~cxx+fortran+hl~ipo~java+mpi+shared~szip~threadsafe+tools api=v18 build_type=RelWithDebInfo patches=2a1e311
hdf5@1.10.7%gcc@11.2.0 ~cxx+fortran+hl~ipo~java+mpi+shared~szip~threadsafe+tools api=v18 build_type=RelWithDebInfo patches=2a1e311
hdf5@1.12.1%cce@13.0.2 ~cxx+fortran+hl~ipo~java+mpi+shared~szip~threadsafe+tools api=v18 build_type=RelWithDebInfo patches=ee351eb
hdf5@1.12.1%gcc@11.2.0 ~cxx+fortran+hl~ipo~java+mpi+shared~szip~threadsafe+tools api=v18 build_type=RelWithDebInfo patches=ee351eb
hdf5@1.12.1%gcc@11.2.0 ~cxx+fortran+hl~ipo~java+mpi+shared~szip~threadsafe+tools api=v18 build_type=RelWithDebInfo patches=ee351eb
heffte@2.2.0%gcc@11.2.0 ~cuda+fftw~fortran~ipo~magma~mkl~python~rocm+shared build_type=RelWithDebInfo
hpctoolkit@2022.04.15%gcc@11.2.0 ~all-static~cray~cuda~debug~level_zero~mpi+papi~rocm+viewer
hpctoolkit@2022.04.15%gcc@11.2.0 ~all-static~cray+cuda~debug~level_zero~mpi+papi~rocm+viewer
hpcviewer@2022.03%gcc@11.2.0
hpx@1.7.1%gcc@11.2.0 ~async_cuda~async_mpi~cuda~examples~generic_coroutines~ipo~rocm~tools build_type=RelWithDebInfo cxxstd=17 instrumentation=none malloc=tcmalloc max_cpu_count=64 networking=mpi
hwloc@2.7.1%gcc@11.2.0 ~cairo~cuda~gl~libudev+libxml2~netloc~nvml~opencl+pci~rocm+shared
hypre@2.24.0%gcc@11.2.0 ~complex~cuda~debug+fortran~gptune~int64~internal-superlu~mixedint+mpi+openmp~rocm+shared~superlu-dist~unified-memory
hypre@2.24.0%cce@13.0.2 ~complex~cuda~debug+fortran~gptune~int64~internal-superlu~mixedint+mpi+openmp~rocm+shared+superlu-dist~unified-memory
hypre@2.24.0%gcc@11.2.0 ~complex~cuda~debug+fortran~gptune~int64~internal-superlu~mixedint+mpi+openmp~rocm+shared+superlu-dist~unified-memory
hypre@2.24.0%gcc@11.2.0 ~complex+cuda~debug+fortran~gptune~int64~internal-superlu~mixedint+mpi+openmp~rocm+shared+superlu-dist~unified-memory cuda_arch=80
icu4c@67.1%gcc@11.2.0  cxxstd=11
icu4c@67.1%gcc@11.2.0  cxxstd=11
inputproto@2.3.2%gcc@11.2.0
intel-tbb@2020.3%gcc@11.2.0 ~ipo+shared+tm build_type=RelWithDebInfo cxxstd=default patches=62ba015,ce1fb16,d62cb66
intel-tbb@2020.3%gcc@11.2.0 ~ipo+shared+tm build_type=RelWithDebInfo cxxstd=default patches=62ba015,ce1fb16,d62cb66
intel-xed@2022.04.17%gcc@11.2.0 ~debug~pic
json-c@0.15%gcc@11.2.0 ~ipo build_type=RelWithDebInfo
json-glib@1.6.6%gcc@11.2.0 ~strip buildtype=debugoptimized default_library=shared
jsoncpp@1.9.4%gcc@11.2.0 ~ipo build_type=RelWithDebInfo cxxstd=default
kbproto@1.0.7%gcc@11.2.0
kim-api@2.2.1%gcc@11.2.0 ~ipo build_type=RelWithDebInfo
kokkos@3.6.00%gcc@11.2.0 ~aggressive_vectorization~compiler_warnings~cuda~cuda_constexpr~cuda_lambda~cuda_ldg_intrinsic~cuda_relocatable_device_code~cuda_uvm~debug~debug_bounds_check~debug_dualview_modify_check~deprecated_code~examples~explicit_instantiation~hpx~hpx_async_dispatch~hwloc~ipo~memkind~numactl~openmp~pic+profiling~profiling_load_print~pthread~qthread~rocm+serial+shared~sycl~tests~tuning~wrapper build_type=RelWithDebInfo std=14
kokkos@3.6.00%cce@13.0.2 ~aggressive_vectorization~compiler_warnings~cuda~cuda_constexpr~cuda_lambda~cuda_ldg_intrinsic~cuda_relocatable_device_code~cuda_uvm~debug~debug_bounds_check~debug_dualview_modify_check~deprecated_code~examples~explicit_instantiation~hpx~hpx_async_dispatch~hwloc~ipo~memkind~numactl+openmp~pic+profiling~profiling_load_print~pthread~qthread~rocm+serial+shared~sycl~tests~tuning~wrapper build_type=RelWithDebInfo std=14
kokkos@3.6.00%gcc@11.2.0 ~aggressive_vectorization~compiler_warnings~cuda~cuda_constexpr~cuda_lambda~cuda_ldg_intrinsic~cuda_relocatable_device_code~cuda_uvm~debug~debug_bounds_check~debug_dualview_modify_check~deprecated_code~examples~explicit_instantiation~hpx~hpx_async_dispatch~hwloc~ipo~memkind~numactl+openmp~pic+profiling~profiling_load_print~pthread~qthread~rocm+serial+shared~sycl~tests~tuning~wrapper build_type=RelWithDebInfo std=14
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raja@0.14.0%cce@13.0.2 ~cuda+examples+exercises~ipo+openmp~rocm+shared~tests build_type=RelWithDebInfo
raja@0.14.0%gcc@11.2.0 ~cuda+examples+exercises~ipo+openmp~rocm+shared~tests build_type=RelWithDebInfo
raja@0.14.0%gcc@11.2.0 +cuda+examples+exercises~ipo+openmp~rocm+shared~tests build_type=RelWithDebInfo cuda_arch=80
randrproto@1.5.0%gcc@11.2.0
rankstr@0.1.0%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
rankstr@0.1.0%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
readline@7.0%cce@13.0.2
readline@7.0%gcc@11.2.0
redset@0.1.0%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
redset@0.1.0%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
renderproto@0.11.1%gcc@11.2.0
rhash@1.4.2%cce@13.0.2  patches=093518c,3fbfe46
rhash@1.4.2%gcc@11.2.0  patches=093518c,3fbfe46
scr@3.0rc2%gcc@11.2.0 +bbapi~bbapi_fallback~dw+examples+fortran~ipo~libyogrt+pdsh+shared+tests build_type=RelWithDebInfo cache_base=/dev/shm cntl_base=/dev/shm copy_config=none file_lock=FLOCK resource_manager=SLURM scr_config=scr.conf
shuffile@0.1.0%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
shuffile@0.1.0%gcc@11.2.0 ~ipo+shared build_type=RelWithDebInfo
slate@2021.05.02%gcc@11.2.0 ~cuda~ipo+mpi+openmp~rocm+shared build_type=RelWithDebInfo
slate@2021.05.02%gcc@11.2.0 +cuda~ipo+mpi+openmp~rocm+shared build_type=RelWithDebInfo cuda_arch=80
slepc@3.17.1%cce@13.0.2 +arpack~blopex~cuda~rocm
slepc@3.17.1%gcc@11.2.0 +arpack~blopex~cuda~rocm
slepc@3.17.1%gcc@11.2.0 +arpack~blopex+cuda~rocm cuda_arch=80
snappy@1.1.8%cce@13.0.2 ~ipo+pic+shared build_type=RelWithDebInfo patches=c9cfecb
snappy@1.1.8%gcc@11.2.0 ~ipo+pic+shared build_type=RelWithDebInfo patches=c9cfecb
spath@0.1.0%gcc@11.2.0 ~ipo~mpi+shared build_type=RelWithDebInfo
spath@0.1.0%gcc@11.2.0 ~ipo+mpi+shared build_type=RelWithDebInfo
sqlite@3.38.5%cce@13.0.2 +column_metadata+dynamic_extensions+fts~functions+rtree
sqlite@3.38.5%gcc@11.2.0 +column_metadata+dynamic_extensions+fts~functions+rtree
stc@0.9.0%gcc@11.2.0
strumpack@6.3.1%gcc@11.2.0 ~butterflypack+c_interface~count_flops~cuda~ipo+mpi+openmp+parmetis~rocm~scotch+shared~slate~task_timers+zfp build_type=RelWithDebInfo
strumpack@6.3.1%gcc@11.2.0 ~butterflypack+c_interface~count_flops+cuda~ipo+mpi+openmp+parmetis~rocm~scotch+shared~slate~task_timers+zfp build_type=RelWithDebInfo cuda_arch=80
sundials@6.2.0%cce@13.0.2 +ARKODE+CVODE+CVODES+IDA+IDAS+KINSOL~cuda+examples+examples-install~f2003~fcmix+generic-math~hypre~int64~ipo~klu~lapack~magma~monitoring+mpi~openmp~petsc~profiling~pthread~raja~rocm+shared+static~superlu-dist~superlu-mt~sycl~trilinos build_type=RelWithDebInfo cstd=99 cxxstd=14 logging-level=0 precision=double
sundials@6.2.0%gcc@11.2.0 +ARKODE+CVODE+CVODES+IDA+IDAS+KINSOL~cuda+examples+examples-install~f2003~fcmix+generic-math~hypre~int64~ipo~klu~lapack~magma~monitoring+mpi~openmp~petsc~profiling~pthread~raja~rocm+shared+static~superlu-dist~superlu-mt~sycl~trilinos build_type=RelWithDebInfo cstd=99 cxxstd=14 logging-level=0 precision=double
superlu@5.3.0%cce@13.0.2 ~ipo+pic build_type=RelWithDebInfo
superlu@5.3.0%gcc@11.2.0 ~ipo+pic build_type=RelWithDebInfo
superlu-dist@7.2.0%cce@13.0.2 ~cuda~int64~ipo+openmp~rocm+shared build_type=RelWithDebInfo patches=8da9e21
superlu-dist@7.2.0%gcc@11.2.0 ~cuda~int64~ipo+openmp~rocm+shared build_type=RelWithDebInfo patches=8da9e21
swig@4.0.2%gcc@11.2.0
swig@4.0.2-fortran%gcc@11.2.0
sz@2.1.12%cce@13.0.2 ~fortran~hdf5~ipo~netcdf~pastri~python~random_access+shared~stats~time_compression build_type=RelWithDebInfo
sz@2.1.12%gcc@11.2.0 ~fortran~hdf5~ipo~netcdf~pastri~python~random_access+shared~stats~time_compression build_type=RelWithDebInfo
tar@1.30%cce@13.0.2
tar@1.30%gcc@11.2.0
tasmanian@7.7%gcc@11.2.0 ~blas~cuda~fortran~ipo~magma~mpi+openmp~python~rocm~xsdkflags build_type=Release
tau@2.31.1%gcc@11.2.0 ~adios2+binutils~comm~craycnl+cuda+elf+fortran~gasnet+io~level_zero+libdwarf+libunwind~likwid+mpi~ompt~opari~opencl~openmp+otf2+papi+pdt~phase~ppc64le~profileparam+pthreads~python~rocm~rocprofiler~roctracer~scorep~shmem~sqlite~x86_64
tcl@8.6.12%gcc@11.2.0
texinfo@6.5%gcc@11.2.0  patches=12f6edb,1732115
trilinos@13.0.1%gcc@11.2.0 ~adios2+amesos+amesos2+anasazi+aztec~basker+belos+boost~chaco~complex~cuda~cuda_rdc~debug~dtk+epetra+epetraext~epetraextbtf~epetraextexperimental~epetraextgraphreorderings~exodus+explicit_template_instantiation~float+fortran~gtest~hdf5~hypre+ifpack+ifpack2+intrepid+intrepid2~ipo+isorropia+kokkos~mesquite+minitensor+ml+mpi+muelu~mumps+nox~openmp~panzer+phalanx+piro~python~rocm~rocm_rdc+rol+rythmos+sacado~scorec+shards+shared+shylu+stk+stokhos+stratimikos~strumpack~suite-sparse~superlu+superlu-dist+teko+tempus+thyra+tpetra+trilinoscouplings~wrapper~x11+zoltan+zoltan2 build_type=RelWithDebInfo cxxstd=14 gotype=long_long
turbine@1.3.0%gcc@11.2.0 ~hdf5~python~r
udunits@2.2.28%gcc@11.2.0
umap@2.1.0%gcc@11.2.0 ~ipo~logging~tests build_type=RelWithDebInfo
umpire@6.0.0%gcc@11.2.0 +c~cuda~deviceconst+examples~fortran~ipo~numa~openmp~rocm+shared build_type=RelWithDebInfo tests=none
umpire@6.0.0%gcc@11.2.0 +c~cuda~deviceconst+examples~fortran~ipo~numa+openmp~rocm+shared build_type=RelWithDebInfo tests=none
umpire@6.0.0%gcc@11.2.0 +c+cuda~deviceconst+examples~fortran~ipo~numa~openmp~rocm~shared build_type=RelWithDebInfo cuda_arch=80 tests=none
unifyfs@0.9.2%gcc@11.2.0 +auto-mount~fortran~pmi~pmix+spath patches=8a9c20c
unzip@6.0%gcc@11.2.0
util-linux-uuid@2.33.1%cce@13.0.2
util-linux-uuid@2.33.1%gcc@11.2.0
util-macros@1.19.3%gcc@11.2.0
veloc@1.5%gcc@11.2.0 ~ipo build_type=RelWithDebInfo
vtk-m@1.7.1%gcc@11.2.0 ~64bitids+ascent_types~cuda+doubleprecision~ipo~kokkos~logging~mpi+openmp+rendering~rocm~shared~tbb~testlib~virtuals build_type=Release
warpx@22.05%gcc@11.2.0 +app~ascent~eb~ipo+lib+mpi+mpithreadmultiple+openpmd+psatd+qed~qedtablegen+shared+tprof build_type=RelWithDebInfo compute=omp dims=2 precision=double
warpx@22.05%gcc@11.2.0 +app~ascent~eb~ipo+lib+mpi+mpithreadmultiple+openpmd+psatd+qed~qedtablegen+shared+tprof build_type=RelWithDebInfo compute=omp dims=3 precision=double
warpx@22.05%gcc@11.2.0 +app~ascent~eb~ipo+lib+mpi+mpithreadmultiple+openpmd+psatd+qed~qedtablegen+shared+tprof build_type=RelWithDebInfo compute=omp dims=rz precision=double
xcb-proto@1.14.1%gcc@11.2.0
xcb-util@0.4.0%gcc@11.2.0
xcb-util-image@0.4.0%gcc@11.2.0
xcb-util-keysyms@0.4.0%gcc@11.2.0
xcb-util-renderutil@0.3.9%gcc@11.2.0
xcb-util-wm@0.4.1%gcc@11.2.0
xerces-c@3.2.3%gcc@11.2.0  cxxstd=default netaccessor=curl transcoder=iconv
xextproto@7.3.0%gcc@11.2.0
xkbcomp@1.4.4%gcc@11.2.0
xkbdata@1.0.1%gcc@11.2.0
xproto@7.0.31%gcc@11.2.0
xrandr@1.5.0%gcc@11.2.0
xtrans@1.3.5%gcc@11.2.0
xz@5.2.5%cce@13.0.2 ~pic libs=shared,static
xz@5.2.5%gcc@11.2.0 ~pic libs=shared,static
xz@5.2.5%gcc@11.2.0 +pic libs=shared,static
yasm@1.3.0%gcc@11.2.0
zfp@0.5.5%cce@13.0.2 ~aligned~c~cuda~fasthash~fortran~ipo~openmp~profile~python+shared~strided~twoway bsws=64 build_type=RelWithDebInfo
zfp@0.5.5%gcc@11.2.0 ~aligned~c~cuda~fasthash~fortran~ipo~openmp~profile~python+shared~strided~twoway bsws=64 build_type=RelWithDebInfo
zfp@0.5.5%gcc@11.2.0 ~aligned~c~cuda~fasthash~fortran~ipo~openmp~profile~python+shared~strided~twoway bsws=64 build_type=RelWithDebInfo
zfp@0.5.5%gcc@11.2.0 ~aligned~c+cuda~fasthash~fortran~ipo~openmp~profile~python+shared~strided~twoway bsws=64 build_type=RelWithDebInfo cuda_arch=80
zlib@1.2.12%cce@13.0.2 +optimize+pic+shared patches=0d38234
zlib@1.2.12%gcc@11.2.0 +optimize+pic+shared patches=0d38234
zsh@5.6%gcc@11.2.0 +skip-tcsetpgrp-test
zstd@1.5.2%cce@13.0.2 ~programs libs=shared,static
zstd@1.5.2%gcc@11.2.0 ~programs libs=shared,static

This stack comes with the following modules generated by Spack.

Note

We only generate modules for root specs (i.e spack find -x). If you want to use one of the implicit specs (spack find -X), we recommend you use spack load to load the package in your user environment.

Output of module avail
--------------------------------------------------- /global/common/software/spackecp/perlmutter/e4s-22.05/modules/cray-sles15-zen3 ----------------------------------------------------
adios2/2.8.0-cce-13.0.2                   ginkgo/1.4.0-gcc-11.2.0-cuda                 mpark-variant/1.4.0-gcc-11.2.0           slepc/3.17.1-cce-13.0.2
adios2/2.8.0-gcc-11.2.0-cuda              ginkgo/1.4.0-gcc-11.2.0               (D)    nano/4.9-gcc-11.2.0                      slepc/3.17.1-gcc-11.2.0-cuda
adios2/2.8.0-gcc-11.2.0            (D)    globalarrays/5.8-gcc-11.2.0                  nccmp/1.9.0.1-gcc-11.2.0                 slepc/3.17.1-gcc-11.2.0         (D)
aml/0.1.0-gcc-11.2.0                      gnuplot/5.4.3-gcc-11.2.0                     nco/5.0.1-gcc-11.2.0                     stc/0.9.0-gcc-11.2.0
amrex/22.05-gcc-11.2.0                    gotcha/1.0.3-gcc-11.2.0                      ncview/2.1.8-gcc-11.2.0                  strumpack/6.3.1-gcc-11.2.0-cuda
arborx/1.2-gcc-11.2.0-cuda                gromacs/2021.5-gcc-11.2.0                    omega-h/9.34.1-gcc-11.2.0                strumpack/6.3.1-gcc-11.2.0      (D)
arborx/1.2-gcc-11.2.0              (D)    gsl/2.7-gcc-11.2.0                           openblas/0.3.20-gcc-11.2.0               sundials/6.2.0-cce-13.0.2
argobots/1.1-gcc-11.2.0                   hdf5/1.10.7-cce-13.0.2                       openpmd-api/0.14.4-gcc-11.2.0            sundials/6.2.0-gcc-11.2.0       (D)
axom/0.6.1-gcc-11.2.0                     hdf5/1.10.7-gcc-11.2.0                (D)    papi/6.0.0.1-gcc-11.2.0-cuda             superlu-dist/7.2.0-cce-13.0.2
berkeleygw/3.0.1-gcc-11.2.0               heffte/2.2.0-gcc-11.2.0                      papi/6.0.0.1-gcc-11.2.0                  superlu-dist/7.2.0-gcc-11.2.0   (D)
bolt/2.0-gcc-11.2.0                       hpctoolkit/2022.04.15-gcc-11.2.0-cuda        papyrus/1.0.2-gcc-11.2.0                 superlu/5.3.0-cce-13.0.2
butterflypack/2.1.1-gcc-11.2.0            hpctoolkit/2022.04.15-gcc-11.2.0      (D)    parallel-netcdf/1.12.2-gcc-11.2.0        superlu/5.3.0-gcc-11.2.0        (D)
cabana/0.4.0-gcc-11.2.0-cuda              hpx/1.7.1-gcc-11.2.0                         parallel/20210922-gcc-11.2.0             swig/4.0.2-fortran-gcc-11.2.0
cabana/0.4.0-gcc-11.2.0            (D)    hypre/2.24.0-cce-13.0.2                      paraview/5.10.1-gcc-11.2.0               swig/4.0.2-gcc-11.2.0           (D)
caliper/2.7.0-gcc-11.2.0-cuda             hypre/2.24.0-gcc-11.2.0-cuda                 parmetis/4.0.3-gcc-11.2.0                sz/2.1.12-gcc-11.2.0
caliper/2.7.0-gcc-11.2.0           (D)    hypre/2.24.0-gcc-11.2.0               (D)    parsec/3.0.2012-gcc-11.2.0               tasmanian/7.7-gcc-11.2.0
chai/2.4.0-gcc-11.2.0-cuda                kokkos-kernels/3.6.00-cce-13.0.2             pdt/3.25.1-gcc-11.2.0                    tau/2.31.1-gcc-11.2.0-cuda
chai/2.4.0-gcc-11.2.0              (D)    kokkos-kernels/3.6.00-gcc-11.2.0-cuda        petsc/3.17.1-cce-13.0.2                  trilinos/13.0.1-gcc-11.2.0
chapel/1.24.1-gcc-11.2.0                  kokkos-kernels/3.6.00-gcc-11.2.0      (D)    petsc/3.17.1-gcc-11.2.0-cuda             turbine/1.3.0-gcc-11.2.0
conduit/0.8.3-gcc-11.2.0                  kokkos/3.6.00-cce-13.0.2                     petsc/3.17.1-gcc-11.2.0           (D)    umap/2.1.0-gcc-11.2.0
cp2k/9.1-gcc-11.2.0-cuda                  kokkos/3.6.00-gcc-11.2.0-cuda                phist/1.9.5-gcc-11.2.0                   umpire/6.0.0-gcc-11.2.0-cuda
darshan-runtime/3.3.1-gcc-11.2.0          kokkos/3.6.00-gcc-11.2.0              (D)    plasma/21.8.29-gcc-11.2.0                umpire/6.0.0-gcc-11.2.0         (D)
darshan-util/3.3.1-gcc-11.2.0             lammps/20220107-gcc-11.2.0                   pumi/2.2.7-gcc-11.2.0                    unifyfs/0.9.2-gcc-11.2.0
datatransferkit/3.1-rc3-gcc-11.2.0        legion/21.03.0-gcc-11.2.0                    qthreads/1.16-gcc-11.2.0                 veloc/1.5-gcc-11.2.0
dyninst/12.1.0-gcc-11.2.0                 libquo/1.3.1-gcc-11.2.0                      raja/0.14.0-cce-13.0.2                   vtk-m/1.7.1-gcc-11.2.0
faodel/1.2108.1-gcc-11.2.0                mercury/2.1.0-gcc-11.2.0                     raja/0.14.0-gcc-11.2.0-cuda              zfp/0.5.5-gcc-11.2.0-cuda
flecsi/1.4.2-gcc-11.2.0                   metall/0.20-gcc-11.2.0                       raja/0.14.0-gcc-11.2.0            (D)    zfp/0.5.5-gcc-11.2.0            (D)
flit/2.1.0-gcc-11.2.0                     metis/5.1.0-gcc-11.2.0                       scr/3.0rc2-gcc-11.2.0
fortrilinos/2.0.0-gcc-11.2.0              mfem/4.4.0-gcc-11.2.0-cuda                   slate/2021.05.02-gcc-11.2.0-cuda
gasnet/2022.3.0-gcc-11.2.0                mfem/4.4.0-gcc-11.2.0                 (D)    slate/2021.05.02-gcc-11.2.0       (D)

Shown below are few useful spack find commands you can use to filter output

All root specs built with CCE compiler
elvis@perlmutter> spack find -x --format "{name}" %cce
adios2  hdf5  hypre  kokkos  kokkos-kernels  petsc  raja  slepc  sundials  superlu  superlu-dist

We have optimized our CUDA builds for the NVIDIA A100 GPUS which is set in spack packages using the cuda_arch=80 variant. If you want to find out all specs built for CUDA you can use the following command shown below.

All specs built with variant cuda_arch=80
elvis@perlmutter> spack find --format "{name}@{version}%{compiler.name}@{compiler.version}: {variants}" cuda_arch=80
adios2@2.8.0%gcc@11.2.0: +blosc+bzip2+cuda~dataman~dataspaces+fortran~hdf5~ipo+mpi+pic+png~python+shared+ssc+sst+sz+zfp build_type=Release cuda_arch=80
arborx@1.2%gcc@11.2.0: +cuda~ipo+mpi~openmp~rocm+serial~sycl~trilinos build_type=RelWithDebInfo cuda_arch=80
caliper@2.7.0%gcc@11.2.0: +adiak+cuda~fortran+gotcha~ipo+libdw~libpfm+libunwind+mpi+papi+sampler+shared~sosflow build_type=RelWithDebInfo cuda_arch=80
camp@0.2.2%gcc@11.2.0: +cuda~ipo~rocm~tests build_type=RelWithDebInfo cuda_arch=80
chai@2.4.0%gcc@11.2.0: ~benchmarks+cuda~enable_pick+examples~ipo~openmp~raja~rocm+shared~tests build_type=RelWithDebInfo cuda_arch=80
ginkgo@1.4.0%gcc@11.2.0: +cuda~develtools~full_optimizations~hwloc~ipo~oneapi+openmp~rocm+shared build_type=Release cuda_arch=80 patches=43e571a
hypre@2.24.0%gcc@11.2.0: ~complex+cuda~debug+fortran~gptune~int64~internal-superlu~mixedint+mpi+openmp~rocm+shared+superlu-dist~unified-memory cuda_arch=80
kokkos@3.6.00%gcc@11.2.0: ~aggressive_vectorization~compiler_warnings+cuda~cuda_constexpr~cuda_lambda~cuda_ldg_intrinsic~cuda_relocatable_device_code~cuda_uvm~debug~debug_bounds_check~debug_dualview_modify_check~deprecated_code~examples~explicit_instantiation~hpx~hpx_async_dispatch~hwloc~ipo~memkind~numactl~openmp~pic+profiling~profiling_load_print~pthread~qthread~rocm+serial+shared~sycl~tests~tuning+wrapper build_type=RelWithDebInfo cuda_arch=80 std=14
kokkos@3.6.00%gcc@11.2.0: ~aggressive_vectorization~compiler_warnings+cuda~cuda_constexpr+cuda_lambda~cuda_ldg_intrinsic~cuda_relocatable_device_code~cuda_uvm~debug~debug_bounds_check~debug_dualview_modify_check~deprecated_code~examples~explicit_instantiation~hpx~hpx_async_dispatch~hwloc~ipo~memkind~numactl~openmp~pic+profiling~profiling_load_print~pthread~qthread~rocm+serial+shared~sycl~tests~tuning+wrapper build_type=RelWithDebInfo cuda_arch=80 std=14
kokkos-kernels@3.6.00%gcc@11.2.0: ~blas~cblas~cublas+cuda~cusparse~ipo~lapack~lapacke~mkl~openmp~pthread~serial+shared~superlu build_type=RelWithDebInfo cuda_arch=80 execspace_cuda=auto execspace_openmp=auto execspace_serial=auto execspace_threads=auto layouts=left memspace_cudaspace=auto memspace_cudauvmspace=auto offsets=int,size_t ordinals=int scalars=double
mfem@4.4.0%gcc@11.2.0: ~amgx~conduit+cuda~debug~examples~fms~gnutls~gslib~lapack~libceed~libunwind+metis~miniapps~mpfr+mpi~netcdf~occa~openmp~petsc~pumi~raja~rocm~shared~slepc+static~strumpack~suite-sparse~sundials~superlu-dist~threadsafe~umpire+zlib cuda_arch=80 timer=auto
petsc@3.17.1%gcc@11.2.0: ~X~batch~cgns~complex+cuda~debug+double~exodusii~fftw+fortran~giflib+hdf5~hpddm~hwloc+hypre~int64~jpeg~knl~kokkos~libpng~libyaml~memkind+metis~mkl-pardiso~mmg~moab~mpfr+mpi~mumps+openmp~p4est~parmmg~ptscotch~random123~rocm~saws~scalapack+shared+strumpack~suite-sparse+superlu-dist~tetgen~trilinos~valgrind clanguage=C cuda_arch=80
raja@0.14.0%gcc@11.2.0: +cuda+examples+exercises~ipo+openmp~rocm+shared~tests build_type=RelWithDebInfo cuda_arch=80
slate@2021.05.02%gcc@11.2.0: +cuda~ipo+mpi+openmp~rocm+shared build_type=RelWithDebInfo cuda_arch=80
slepc@3.17.1%gcc@11.2.0: +arpack~blopex+cuda~rocm cuda_arch=80
strumpack@6.3.1%gcc@11.2.0: ~butterflypack+c_interface~count_flops+cuda~ipo+mpi+openmp+parmetis~rocm~scotch+shared~slate~task_timers+zfp build_type=RelWithDebInfo cuda_arch=80
umpire@6.0.0%gcc@11.2.0: +c+cuda~deviceconst+examples~fortran~ipo~numa~openmp~rocm~shared build_type=RelWithDebInfo cuda_arch=80 tests=none
zfp@0.5.5%gcc@11.2.0: ~aligned~c+cuda~fasthash~fortran~ipo~openmp~profile~python+shared~strided~twoway bsws=64 build_type=RelWithDebInfo cuda_arch=80

Developer Workflow

Shown below is a guide to get you started building packages with our Spack instance. First, we recommend you source the following file which will activate a python environment and install clingo in your environment.

# bash, sh, zsh users
source $SPACK_ROOT/bin/spack-setup.sh

# csh or tcsh users
source $SPACK_ROOT/bin/spack-setup.csh

Upon sourcing the file you will see the following message, note that clingo is installed as a python package which can be seen by running pip list.

elvis@perlmutter> source $SPACK_ROOT/bin/spack-setup.sh
Creating python virtual environment in /global/homes/s/elvis/.spack-pyenv
WARNING: You are using pip version 20.2.3; however, version 21.3.1 is available.
You should consider upgrading via the '/global/homes/s/elvis/.spack-pyenv/bin/python3 -m pip install --upgrade pip' command.
Package       Version
------------- -------
cffi          1.15.1
clingo        5.5.2
mpi4py        3.1.2
numpy         1.22.3
periodictable 1.5.0
picmistandard 0.0.19
pip           20.2.3
pycparser     2.21
pyelftools    0.26
pyparsing     3.0.6
scipy         1.8.0
setuptools    59.4.0
toml          0.10.2
WARNING: You are using pip version 20.2.3; however, version 21.3.1 is available.
You should consider upgrading via the '/global/homes/s/elvis/.spack-pyenv/bin/python3 -m pip install --upgrade pip' command.
Your python interpreter used by spack is /global/homes/s/elvis/.spack-pyenv/bin/python

We recommend you run the following to see if spack will concretize a spec and not try to bootstrap clingo. Note we must exit the e4s environment via despacktivate otherwise spack will use the production path which will cause permission issues. You can confirm your active environment by running spack env st. Next try running spack spec zlib to check if spack will concretize zlib which will use clingo installed in your python environment.

(.spack-pyenv) elvis@perlmutter> despacktivate
(.spack-pyenv) elvis@perlmutter> spack env st
==> No active environment

(.spack-pyenv) elvis@perlmutter> spack spec zlib
Input spec
--------------------------------
zlib

Concretized
--------------------------------
zlib@1.2.12%gcc@11.2.0+optimize+pic+shared patches=0d38234 arch=cray-sles15-zen3

We recommend you create a spack environment in your user space to install your spack stack. This can be done using spack env create command using the -d option to specify a directory. This will create a directory with an empty spack.yaml. To activate the environment you can run spack env activate and name of directory.

(.spack-pyenv) elvis@perlmutter> spack env create -d $HOME/e4s-22.05-demo
==> Created environment in /global/homes/s/elvis/e4s-22.05-demo
==> You can activate this environment with:
==>   spack env activate /global/homes/s/elvis/e4s-22.05-demo

(.spack-pyenv) elvis@perlmutter> spack env activate $HOME/e4s-22.05-demo

(.spack-pyenv) elvis@perlmutter> ls -l $HOME/e4s-22.05-demo
total 1
-rw-rw---- 1 elvis elvis 199 Jul 19 12:10 spack.yaml

You can retrieve the site scope via spack config --scope site get packages.

This spack instance is configured to install packages in your HOME directory, the spack site configuration can be found in this directory $SPACK_ROOT/etc/spack/ which applies configuration to all users but this can be overridden in your spack.yaml. Take note of the following settings below for build stage, and installation tree. Note that HOME directory is shared between Cori and Perlmutter, therefore we organize user installation by system. We recommend you adopt a similar naming scheme if you plan on building spack packages on both systems.

(.spack-pyenv) elvis@perlmutter> cat $SPACK_ROOT/etc/spack/config.yaml
config:
  build_stage: $HOME/spack-workspace/perlmutter/build_stage
  misc_cache: $HOME/spack-workspace/perlmutter/misc_cache
  install_tree:
    root: $HOME/spack-workspace/perlmutter/software
  source_cache: $HOME/.spack/cache

Shown below is the site configuration for modules.yaml, we have configured the module root to be $HOME/spack-workspace/perlmutter/modules where TCL modules will be generated. Furthermore we have customized the tcl module setting when generating modules. You are welcome to override these configuration in your spack.yaml.

(.spack-pyenv) elvis@perlmutter> cat $SPACK_ROOT/etc/spack/modules.yaml
modules:
  default:
    roots:
      tcl: $HOME/spack-workspace/perlmutter/modules
    tcl:
      naming_scheme: '{name}/{version}-{compiler.name}-{compiler.version}'
      all:
        conflict:
        - '{name}'
        environment:
          set:
            '{name}_ROOT': '{prefix}'

Now let's add the following package in your spack.yaml and try building it via spack. We will build papi. Shown below is the content of spack.yaml, please copy this content to your spack.yaml.

# This is a Spack Environment file.
#
# It describes a set of packages to be installed, along with
# configuration settings.
spack:
  # add package specs to the `specs` list
  specs:
  - papi
  view: true

Note we don't provide a buildcache so papi will be built from source. Now let's install all packages in your environment by running spack install

(.spack-pyenv) elvis@perlmutter:~/e4s-22.05-demo> spack install
==> Starting concretization
==> Environment concretized in 13.19 seconds.
==> Concretized papi
 -   s2y4nrv  papi@6.0.0.1%gcc@11.2.0~cuda+example~infiniband~lmsensors~nvml~powercap~rapl~rocm~rocm_smi~sde+shared~static_tools arch=cray-sles15-zen3

==> Installing environment /global/homes/s/elvis/e4s-22.05-demo
==> Installing papi-6.0.0.1-s2y4nrvu6whr6hhgi63aa3nqwz2d35af
==> No binary for papi-6.0.0.1-s2y4nrvu6whr6hhgi63aa3nqwz2d35af found: installing from source
==> Using cached archive: /global/homes/s/elvis/.spack/cache/_source-cache/archive/3c/3cd7ed50c65b0d21d66e46d0ba34cd171178af4bbf9d94e693915c1aca1e287f.tar.gz
==> No patches needed for papi
==> papi: Executing phase: 'autoreconf'
==> papi: Executing phase: 'configure'
==> papi: Executing phase: 'build'
==> papi: Executing phase: 'install'
==> papi: Successfully installed papi-6.0.0.1-s2y4nrvu6whr6hhgi63aa3nqwz2d35af
  Fetch: 0.01s.  Build: 25.80s.  Total: 25.81s.
[+] /global/homes/s/elvis/spack-workspace/perlmutter/software/cray-sles15-zen3/gcc-11.2.0/papi-6.0.0.1-s2y4nrvu6whr6hhgi63aa3nqwz2d35af
==> Updating view at /global/homes/s/elvis/e4s-22.05-demo/.spack-env/view

We can find the root directory for papi by running the following. We see the package was installed in our home directory.

(.spack-pyenv) elvis@perlmutter:~/e4s-22.05-demo> spack location -i papi
/global/homes/s/elvis/spack-workspace/perlmutter/software/cray-sles15-zen3/gcc-11.2.0/papi-6.0.0.1-s2y4nrvu6whr6hhgi63aa3nqwz2d35af

We can create the module tree and retrieve the location of our generated module as shown below.

(.spack-pyenv) elvis@perlmutter:~/e4s-22.05-demo> spack module tcl refresh --delete-tree -y
==> Regenerating tcl module files
(.spack-pyenv) elvis@perlmutter:~/e4s-22.05-demo> spack module tcl find --full-path papi
/global/homes/s/elvis/spack-workspace/perlmutter/modules/cray-sles15-zen3/papi/6.0.0.1-gcc-11.2.0-s2y4nrv

If you want to add this to MODULEPATH you can simply run the following:

(.spack-pyenv) elvis@perlmutter:~/e4s-22.05-demo> module use $HOME/spack-workspace/perlmutter/modules/$(spack arch)

Now we see the modulefile papi/6.0.0.1-gcc-11.2.0-s2y4nrv is visible and can be loaded as any other software package.

(.spack-pyenv) elvis@perlmutter:~/e4s-22.05-demo> ml -t av papi
/global/homes/p/pratham/spack-workspace/perlmutter/modules/cray-sles15-zen3:
papi/6.0.0.1-gcc-11.2.0-s2y4nrv
/global/common/software/spackecp/perlmutter/e4s-22.05/modules/cray-sles15-zen3:
papi/6.0.0.1-gcc-11.2.0-cuda
papi/6.0.0.1-gcc-11.2.0
/opt/cray/pe/lmod/modulefiles/core:
papi/6.0.0.12
papi/6.0.0.14
papi/6.0.0.15