From 4a8c63f35889c61cde81d4c59b4ad0fa9b89ac4c Mon Sep 17 00:00:00 2001 From: eugeneswalker Date: Mon, 6 May 2024 08:22:56 -0700 Subject: [PATCH] draft environments for e4s 24.05 --- environments/24.05/README.md | 112 ++++++ .../amd64-gcc-cpu-ubuntu22.04/spack.yaml | 216 +++++++++++ .../amd64-gcc-cuda-ubuntu22.04/spack.yaml | 183 +++++++++ .../amd64-gcc-rocm-ubuntu22.04/spack.yaml | 346 ++++++++++++++++++ .../24.05/amd64-oneapi-ubuntu22.04/spack.yaml | 251 +++++++++++++ .../arm64-gcc-cpu-ubuntu22.04/spack.yaml | 216 +++++++++++ .../arm64-gcc-cuda-ubuntu22.04/spack.yaml | 233 ++++++++++++ .../ppc64-gcc-cpu-ubuntu20.04/spack.yaml | 210 +++++++++++ .../ppc64-gcc-cuda-ubuntu20.04/spack.yaml | 127 +++++++ 9 files changed, 1894 insertions(+) create mode 100644 environments/24.05/README.md create mode 100644 environments/24.05/amd64-gcc-cpu-ubuntu22.04/spack.yaml create mode 100644 environments/24.05/amd64-gcc-cuda-ubuntu22.04/spack.yaml create mode 100644 environments/24.05/amd64-gcc-rocm-ubuntu22.04/spack.yaml create mode 100644 environments/24.05/amd64-oneapi-ubuntu22.04/spack.yaml create mode 100644 environments/24.05/arm64-gcc-cpu-ubuntu22.04/spack.yaml create mode 100644 environments/24.05/arm64-gcc-cuda-ubuntu22.04/spack.yaml create mode 100644 environments/24.05/ppc64-gcc-cpu-ubuntu20.04/spack.yaml create mode 100644 environments/24.05/ppc64-gcc-cuda-ubuntu20.04/spack.yaml diff --git a/environments/24.05/README.md b/environments/24.05/README.md new file mode 100644 index 0000000..ef7e373 --- /dev/null +++ b/environments/24.05/README.md @@ -0,0 +1,112 @@ +# E4S Release 24.02 + +February 2024 release of E4S + +## Files + +* `amd64-gcc-cpu-ubuntu20.04/spack.yaml` -- Model Spack Environment for systems without GPU (amd64) +* `amd64-gcc-cuda-ubuntu20.04/spack.yaml` -- Model Spack Environment for systems with NVIDIA GPUs (amd64) +* `amd64-gcc-rocm-ubuntu20.04/spack.yaml` -- Model Spack Environment for systems with AMD GPUs (amd64) +* `amd64-oneapi-ubuntu22.04/spack.yaml` -- Model Spack Environment for systems with Intel GPUs (amd64) +* `arm64-gcc-cpu-ubuntu20.04/spack.yaml` -- Model Spack Environment for systems without GPU (arm64) +* `arm64-gcc-cuda-ubuntu20.04/spack.yaml` -- Model Spack Environment for systems with NVIDIA GPUs (arm64) +* `ppc64le-gcc-cpu-ubuntu20.04/spack.yaml` -- Model Spack Environment for systems without GPUs (ppc64le) +* `ppc64le-gcc-cuda-ubuntu20.04/spack.yaml` -- Model Spack Environment for systems with NVIDIA GPUs (ppc64le) + +Alongside the Spack environments listed above there are `concretize.log` files which show the exact versions and variants of the concretized environment. This includes both the root specs and the entire set of dependencies needed to build them. + +*Specs in the Model Spack Environments may be commented out if we encountered deployment issues or the package doesn't offer a fixed version.* + + +## Spack Version + +E4S 24.02 uses Spack branch `e4s-24.02` +* https://github.com/spack/spack +* Branch [e4s-24.02](https://github.com/spack/spack/tree/e4s-24.02) + + +## Spack Build Cache + +* https://cache.e4s.io/24.02 (not intended for web browser access; for use as a `spack mirror`) + +``` +$> spack mirror add E4S https://cache.e4s.io/24.02 + +$> spack buildcache keys -it +gpg: key 4345F04B40005581: public key "University of Oregon - E4S" imported +gpg: Total number processed: 1 +gpg: imported: 1 +gpg: inserting ownertrust of 6 + +$> spack buildcache list -al +... +``` + +## Model Environments + +* Model environment for NVIDIA GPUs on amd64 is: + * `amd64-gcc-cuda-ubuntu20.04/spack.yaml` + * For `cuda_arch=80` and `cuda_arch=90` + * Built and tested using: + * `Ubuntu 20.04, GCC 11.4.0` + * `ecpe4s/ubuntu20.04-runner-amd64-gcc-11.4-mpi-base:2023.08.20` + +* Model environment for NVIDIA GPUs on ppc64le is: + * `ppc64le-gcc-cuda-ubuntu20.04/spack.yaml` + * For `cuda_arch=70` + * Built and tested using: + * `Ubuntu 20.04, GCC 9.4.0` + * `ecpe4s/ubuntu20.04-runner-ppc64-gcc-11.4-mpi-base:2023.08.20` + +* Model environment for NVIDIA GPUs on arm64 is: + * `arm64-gcc-cuda-ubuntu20.04/spack.yaml + * For `cuda_arch=75`, `cuda_arch=80`, `cuda_arch=90` + * Built and tested using: + * `Ubuntu 20.04, GCC 11.4.0` + * `ecpe4s/ubuntu20.04-runner-arm64-gcc-11.4-mpi-base:2023.08.20` + +* Model environment for AMD GPUs on x86_64 is: + * `amd64-gcc-rocm-ubuntu20.04/spack.yaml` + * For `amdgpu_target=gfx908` and `amdgpu_target=gfx90a` + * Built and tested using: + * `Ubuntu 20.04, GCC 11.4.0` + * `ecpe4s/ubuntu20.04-runner-amd64-gcc-11.4-rocm5.4.3-mpi-base:2023.08.20` + +* Model environment for Intel GPUs on x86_64 is: + * `amd64-oneapi-ubuntu22.04/spack.yaml` + * Built and tested using: + * `Ubuntu 22.04, OneAPI 2024.0.1` + * `ecpe4s/ubuntu22.04-runner-amd64-oneapi-2024.0.1:2024.01.22` + * Derived from Intel's official `intel/hpckit:2024.0.1-devel-ubuntu22.04` image + +## Example output of `spack find` + +Here is what `spack find` would show following the installation of the `amd64-gcc-cuda-ubuntu20.04/spack.yaml` with the `cuda_arch=80` specs enabled. + +``` +root@0741a576c1d4:/# spack find -x +-- linux-ubuntu20.04-x86_64 / gcc@11.4.0 ------------------------ +adios@1.13.1 chai@2022.03.0 flux-core@0.58.0 hpx@1.9.1 metall@0.25 paraview@5.11.2 raja@2022.10.4 trilinos@13.0.1 +adios2@2.7.1 chai@2022.03.0 flux-core@0.58.0 hypre@2.30.0 mfem@4.6.0 paraview@5.11.2 rempi@1.1.0 trilinos@14.4.0 +adios2@2.9.2 charliecloud@0.35 fortrilinos@2.3.0 hypre@2.30.0 mfem@4.6.0 parsec@3.0.2209 scr@3.0.1 trilinos@15.0.0 +alquimia@1.1.0 conduit@0.8.8 gasnet@2023.9.0 kokkos@4.2.00 mgard@2023-03-31 parsec@3.0.2209 slate@2023.08.25 turbine@1.3.0 +aml@0.2.1 cp2k@2024.1 ginkgo@1.7.0 kokkos@4.2.00 mgard@2023-03-31 pdt@3.25.2 slate@2023.08.25 umap@2.1.0 +amrex@24.01 cuda@11.8.0 ginkgo@1.7.0 kokkos-kernels@4.2.00 mpark-variant@1.4.0 petsc@3.20.3 slepc@3.20.1 umpire@2022.10.0 +amrex@24.01 cusz@0.3.1 globalarrays@5.8.2 kokkos-kernels@4.2.00 mpich@4.1.2 petsc@3.20.3 slepc@3.20.1 umpire@2022.10.0 +arborx@1.5 darshan-runtime@3.4.4 gmp@6.2.1 lammps@20230802.2 mpifileutils@0.11.1 phist@1.12.0 stc@0.9.0 unifyfs@2.0 +arborx@1.5 darshan-util@3.4.4 gotcha@1.0.5 lammps@20230802.2 nccmp@1.9.1.0 plasma@23.8.2 strumpack@7.2.0 upcxx@2023.9.0 +argobots@1.1 datatransferkit@3.1.1 gptune@4.0.0 lbann@0.104 nco@5.1.6 plumed@2.9.0 strumpack@7.2.0 upcxx@2023.9.0 +ascent@0.9.2 dealii@9.5.1 gromacs@2023.3 lbann@0.104 netlib-scalapack@2.2.0 precice@2.5.0 sundials@6.7.0 variorum@0.7.0 +axom@0.8.1 dealii@9.5.1 gromacs@2023.3 legion@23.06.0 nrm@0.1.0 pruners-ninja@1.0.1 sundials@6.7.0 veloc@1.7 +axom@0.8.1 dyninst@12.3.0 h5bench@1.4 legion@23.06.0 nvhpc@23.11 pumi@2.2.8 superlu@5.3.0 visit@3.3.3 +bolt@2.0 ecp-data-vis-sdk@1.0 hdf5@1.12.3 libcatalyst@2.0.0-rc4 omega-h@9.34.13 py-cinemasci@1.3 superlu-dist@8.2.1 vtk-m@2.0.0 +boost@1.79.0 ecp-data-vis-sdk@1.0 hdf5-vol-async@1.7 libnrm@0.1.0 omega-h@9.34.13 py-h5py@3.8.0 superlu-dist@8.2.1 vtk-m@2.1.0 +bricks@2023.08.25 exago@1.6.0 hdf5-vol-cache@v1.1 libpressio@0.95.1 openfoam@2312 py-jupyterhub@1.4.1 swig@4.0.2-fortran wannier90@3.1.0 +bricks@2023.08.25 exago@1.6.0 hdf5-vol-log@1.4.0 libpressio@0.95.1 openmpi@5.0.1 py-libensemble@1.1.0 sz@2.1.12.5 xyce@7.8.0 +butterflypack@2.4.0 exaworks@0.1.0 heffte@2.4.0 libquo@1.3.1 openpmd-api@0.15.2 py-petsc4py@3.20.2 sz3@3.1.7 zfp@0.5.5 +cabana@0.6.0 faodel@1.2108.1 heffte@2.4.0 libunwind@1.6.2 papi@7.1.0 py-warpx@23.08 tasmanian@8.0 zfp@0.5.5 +cabana@0.6.0 flecsi@2.2.1 hpctoolkit@2023.08.1 loki@0.1.7 papi@7.1.0 qthreads@1.18 tasmanian@8.0 +caliper@2.10.0 flecsi@2.2.1 hpctoolkit@2023.08.1 magma@2.7.2 papyrus@1.0.2 quantum-espresso@7.3 tau@2.33.1 +caliper@2.10.0 flit@2.1.0 hpx@1.9.1 mercury@2.3.1 parallel-netcdf@1.12.3 raja@2022.10.4 tau@2.33.1 +==> 173 installed packages +``` diff --git a/environments/24.05/amd64-gcc-cpu-ubuntu22.04/spack.yaml b/environments/24.05/amd64-gcc-cpu-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..1e3bb45 --- /dev/null +++ b/environments/24.05/amd64-gcc-cpu-ubuntu22.04/spack.yaml @@ -0,0 +1,216 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + compilers: + - compiler: + spec: gcc@=11.4.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu22.04 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] + + packages: + all: + target: [x86_64] + require: '%gcc@11.4.0 target=x86_64' + providers: + blas: [openblas] + variants: +mpi + binutils: + variants: +ld +gold +headers +libiberty ~nls + elfutils: + variants: +bzip2 ~nls +xz + hdf5: + variants: +fortran +hl +shared + libfabric: + variants: fabrics=sockets,tcp,udp,rxm + libunwind: + variants: +pic +xz + openblas: + variants: threads=openmp + 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 + xz: + variants: +pic + mpi: + require: mpich + mpich: + require: '@4.1.2 ~wrapperrpath ~hwloc target=x86_64' + buildable: false + externals: + - spec: mpich@4.1.2 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=pmi + prefix: /usr/local/mpich/install/mpich + tbb: + require: intel-tbb + boost: + version: [1.79.0] + variants: +atomic +chrono +container +date_time +exception +filesystem +graph + +iostreams +locale +log +math +mpi +multithreaded +program_options +random + +regex +serialization +shared +signals +stacktrace +system +test +thread +timer + cxxstd=17 visibility=global + vtk-m: + require: "+examples" + cuda: + require: '@:12.2.0 target=x86_64' + prefer: + - '@12.2.0' + - '@11.8.0' + externals: + - spec: cuda@12.2.0 + prefix: /usr/local/cuda + raja: + variants: +plugins + + specs: + # CPU + - adios + - alquimia + - aml + - amrex + - arborx + - argobots + - axom + - bolt + - boost + - bricks ~cuda + - butterflypack + - cabana + - caliper + - chai tests=none + - charliecloud + - conduit + - cp2k +mpi + - datatransferkit + - dealii + - dyninst + - e4s-alc + - e4s-cl + - ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc +visit +vtkm +zfp ^paraview+qt ^visit ~gui # +visit +gui: https://github.com/spack/spack/issues/40731 + - exago +mpi ~ipopt +hiop ~python +raja ^hiop+raja~sparse + - exaworks + - flecsi + - flit + - flux-core + - fortrilinos + - fpm + - gasnet + - ginkgo + - globalarrays + - glvis ^mesa@23.2.1 + - gmp + - gotcha + - gptune ~mpispawn + - gromacs + - h5bench + - hdf5-vol-async + - hdf5-vol-cache + - hdf5-vol-log + - heffte +fftw + - hpctoolkit + - hpx networking=mpi + - hypre + - kokkos +openmp + - kokkos-kernels +openmp + - laghos ^mfem~cuda + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff + - lbann + - legion + - libnrm + - libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp + - libquo + - libunwind + - loki + - mercury + - metall + - mfem + - mgard +serial +openmp +timing +unstructured ~cuda + - mpark-variant + - mpifileutils ~xattr + - nccmp + - nco + - nek5000 +mpi ~visit + - nekbone +mpi + - netcdf-fortran + - netlib-scalapack + - nrm + - nvhpc + - omega-h + - openfoam + - openmpi + - openpmd-api + - papi + - papyrus + - parsec ~cuda + - pdt + - petsc + - phist + - plasma + - plumed + - precice + - pruners-ninja + - pumi + - py-deephyper + - py-h5py + - py-jupyterhub + - py-libensemble + - py-petsc4py + - py-warpx + - qthreads scheduler=distrib + - quantum-espresso + - raja + - rempi + - scr + - slate ~cuda + - slepc + - stc + - strumpack ~slate + - sundials + - superlu + - superlu-dist + - swig@4.0.2-fortran + - sz3 + - tasmanian + - tau +mpi +python +syscall +dyninst ^dyninst@13.0.0 + - trilinos +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 + - 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 + - umap + - umpire + - upcxx + - variorum + - wannier90 + - xyce +mpi +shared +pymi +pymi_static_tpls + # INCLUDED IN ECP DAV CPU + # - adios2 + # - ascent + # - darshan-runtime + # - darshan-util + # - faodel + # - hdf5 + # - libcatalyst + # - parallel-netcdf + # - paraview + # - py-cinemasci + # - sz + # - unifyfs + # - veloc + # - vtk-m + # - zfp + # -- + # - visit # silo: https://github.com/spack/spack/issues/39538 + # -- + # - geopm # py-tables: tables/utilsextension.c:22352:13: error: '_PyErr_StackItem' {aka 'struct _err_stackitem'} has no member named 'exc_traceback'; geopm: https://github.com/spack/spack/issues/38795 diff --git a/environments/24.05/amd64-gcc-cuda-ubuntu22.04/spack.yaml b/environments/24.05/amd64-gcc-cuda-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..19e4caf --- /dev/null +++ b/environments/24.05/amd64-gcc-cuda-ubuntu22.04/spack.yaml @@ -0,0 +1,183 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + compilers: + - compiler: + spec: gcc@=11.4.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu22.04 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] + + packages: + all: + target: [x86_64] + require: '%gcc@11.4.0 target=x86_64' + providers: + blas: [openblas] + variants: +mpi + binutils: + variants: +ld +gold +headers +libiberty ~nls + elfutils: + variants: +bzip2 ~nls +xz + hdf5: + variants: +fortran +hl +shared + libfabric: + variants: fabrics=sockets,tcp,udp,rxm + libunwind: + variants: +pic +xz + openblas: + variants: threads=openmp + 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 + xz: + variants: +pic + mpi: + require: mpich + mpich: + require: '@4.1.2 ~wrapperrpath ~hwloc target=x86_64' + buildable: false + externals: + - spec: mpich@4.1.2 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=pmi + prefix: /usr/local/mpich/install/mpich + tbb: + require: intel-tbb + boost: + version: [1.79.0] + variants: +atomic +chrono +container +date_time +exception +filesystem +graph + +iostreams +locale +log +math +mpi +multithreaded +program_options +random + +regex +serialization +shared +signals +stacktrace +system +test +thread +timer + cxxstd=17 visibility=global + vtk-m: + require: "+examples" + cuda: + require: '@:12.2.0 target=x86_64' + prefer: + - '@12.2.0' + - '@11.8.0' + externals: + - spec: cuda@12.2.0 + prefix: /usr/local/cuda + raja: + variants: +plugins + + specs: + # CUDA NOARCH + - bricks +cuda + - flux-core +cuda + - hpctoolkit +cuda + - legion +cuda + - papi +cuda + - tau +mpi +cuda +syscall + + # CUDA 80 + - amrex +cuda cuda_arch=80 + - arborx +cuda cuda_arch=80 ^kokkos +wrapper + - axom +cuda cuda_arch=80 + - cabana +cuda cuda_arch=80 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=80 + - caliper +cuda cuda_arch=80 + - chai tests=none +cuda cuda_arch=80 ^umpire ~shared + - cusz +cuda cuda_arch=80 + - dealii +cuda cuda_arch=80 + - ecp-data-vis-sdk ~rocm +adios2 ~ascent +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=80 # +ascent fails because fides fetch error + - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=80 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=80 + - flecsi +cuda cuda_arch=80 + - ginkgo +cuda cuda_arch=80 + - gromacs +cuda cuda_arch=80 + - heffte +cuda cuda_arch=80 + - hpx +cuda cuda_arch=80 + - hypre +cuda cuda_arch=80 + - kokkos +wrapper +cuda cuda_arch=80 + - kokkos-kernels +cuda cuda_arch=80 ^kokkos +wrapper +cuda cuda_arch=80 + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff +cuda cuda_arch=80 + - lbann +cuda cuda_arch=80 ^cuda@11.8.0 + - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf +cusz +mgard +cuda cuda_arch=80 ^cusz +cuda cuda_arch=80 + - magma +cuda cuda_arch=80 + - mfem +cuda cuda_arch=80 + - omega-h +cuda cuda_arch=80 ^cuda@11.8.0 + - parsec +cuda cuda_arch=80 + - petsc +cuda cuda_arch=80 + - py-torch +cuda cuda_arch=80 + - raja +cuda cuda_arch=80 + - slate +cuda cuda_arch=80 + - slepc +cuda cuda_arch=80 + - strumpack ~slate +cuda cuda_arch=80 + - sundials +cuda cuda_arch=80 + - superlu-dist +cuda cuda_arch=80 + - tasmanian +cuda cuda_arch=80 + - trilinos +cuda cuda_arch=80 + - umpire ~shared +cuda cuda_arch=80 + - upcxx +cuda cuda_arch=80 + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=80 + # - paraview +cuda cuda_arch=80 + # - vtk-m +cuda cuda_arch=80 + # - zfp +cuda cuda_arch=80 + # -- + # - ascent +cuda cuda_arch=80 # ascent: https://github.com/spack/spack/issues/38045 + # -- + # - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=80 # abseil-cpp-20230802.1-tc22dfo2lp5ixtrxjiajsrsbrhemxf4z/include/absl/crc/crc32c.h:184:34: error: no matching function for call to 'StreamFormat(const char [5], uint32_t)' + # - cp2k +mpi +cuda cuda_arch=80 # cp2k: /tmp/root/spack-stage/spack-stage-libxsmm-1.17-5w5ak34kwoplofa4mdkj7wqfdyyx7ukm/spack-src/./src/libxsmm_gemm.c:207: undefined reference to `sgemm_' + + # CUDA 90 + - amrex +cuda cuda_arch=90 + - arborx +cuda cuda_arch=90 ^kokkos +wrapper + - axom +cuda cuda_arch=90 + - cabana +cuda cuda_arch=90 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=90 + - caliper +cuda cuda_arch=90 + - chai tests=none +cuda cuda_arch=90 ^umpire ~shared + - cusz +cuda cuda_arch=90 + - ecp-data-vis-sdk ~rocm +adios2 ~ascent +hdf5 +vtkm +zfp ~paraview +cuda cuda_arch=90 # +ascent: libs/dray/policies.hpp(20): error: namespace "RAJA" has no member "cuda_exec"; +paraview: incompatible cuda_arch; vtk-m: CMake Error at CMake/VTKmWrappers.cmake:413 (message): vtkm_cont needs to be built STATIC as CUDA doesn't support virtual methods across dynamic library boundaries. You need to set the CMake opt ion BUILD_SHARED_LIBS to `OFF` or (better) turn VTKm_NO_DEPRECATED_VIRTUAL to `ON`. + - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=80 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=80 # hiop conflicts with cuda@12: required for cuda_arch=90 + - flecsi +cuda cuda_arch=90 + - ginkgo +cuda cuda_arch=90 + - gromacs +cuda cuda_arch=90 + - heffte +cuda cuda_arch=90 + - hpx +cuda cuda_arch=90 + - kokkos +wrapper +cuda cuda_arch=90 + - kokkos-kernels +cuda cuda_arch=90 ^kokkos +wrapper +cuda cuda_arch=90 + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff +cuda cuda_arch=90 + - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf +cusz +mgard +cuda cuda_arch=90 ^cusz +cuda cuda_arch=90 + - magma +cuda cuda_arch=90 + - mfem +cuda cuda_arch=90 + - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=90 + - parsec +cuda cuda_arch=90 + - petsc +cuda cuda_arch=90 + - py-torch +cuda cuda_arch=90 + - raja +cuda cuda_arch=90 + - slate +cuda cuda_arch=90 + - slepc +cuda cuda_arch=90 + - strumpack ~slate +cuda cuda_arch=90 + - sundials +cuda cuda_arch=90 + - superlu-dist +cuda cuda_arch=90 + - tasmanian +cuda cuda_arch=90 + - trilinos +cuda cuda_arch=90 + - umpire ~shared +cuda cuda_arch=90 + - upcxx +cuda cuda_arch=90 + # INCLUDED IN ECP DAV CUDA + - adios2 +cuda cuda_arch=90 + - vtk-m +cuda cuda_arch=90 + - zfp +cuda cuda_arch=90 + # -- + # - paraview +cuda cuda_arch=90 # paraview: InstallError: Incompatible cuda_arch=90 + # - ascent +cuda cuda_arch=90 # ascent: https://github.com/spack/spack/issues/38045 + # -- + # - cp2k +mpi +cuda cuda_arch=90 # cp2k: concretization failed for the following reasons: 1. cp2k: cp2k only supports cuda_arch ('35', '37', '60', '70', '80') + # - dealii +cuda cuda_arch=90 # trilinos: Make Error at /tmp/root/spack-stage/spack-stage-trilinos-13.4.1-cmzxksa3bp6ateaboa5eocm34mowda6n/spack-build-cmzxksa/packages/kokkos/cmake/compile_tests/CUDAComputeCapabilityWorkdir/CMakeFiles/CMakeTmp/CMakeLists.txt:21 (add_executable): Cannot find source file: /tmp/root/spack-stage/spack-stage-trilinos-13.4.1-cmzxksa3bp6ateaboa5eocm34mowda6n/spack-build-cmzxksa/compile_tests/cuda_compute_capability.cu; dealii: https://github.com/spack/spack/issues/39532 + # - hypre +cuda cuda_arch=90 # concretizer: hypre +cuda requires cuda@:11, but cuda_arch=90 requires cuda@12: + # - lbann +cuda cuda_arch=90 # dihydrogen: gpu/memory_utils.cpp:112:34: error: 'MemoryPool' is not a member of 'hydrogen::cub' + # - omega-h +cuda cuda_arch=90 # omega-h: https://github.com/spack/spack/issues/39535 diff --git a/environments/24.05/amd64-gcc-rocm-ubuntu22.04/spack.yaml b/environments/24.05/amd64-gcc-rocm-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..6f5684b --- /dev/null +++ b/environments/24.05/amd64-gcc-rocm-ubuntu22.04/spack.yaml @@ -0,0 +1,346 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + compilers: + - compiler: + spec: gcc@=11.4.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu22.04 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] + + packages: + all: + target: [x86_64] + require: '%gcc@11.4.0 target=x86_64' + providers: + blas: [openblas] + variants: +mpi + binutils: + variants: +ld +gold +headers +libiberty ~nls + elfutils: + variants: +bzip2 ~nls +xz + hdf5: + variants: +fortran +hl +shared + libfabric: + variants: fabrics=sockets,tcp,udp,rxm + libunwind: + variants: +pic +xz + openblas: + variants: threads=openmp + 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 + xz: + variants: +pic + mpi: + require: mpich + mpich: + require: '@4.1.2 ~wrapperrpath ~hwloc target=x86_64' + buildable: false + externals: + - spec: mpich@4.1.2 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=pmi + prefix: /usr/local/mpich/install/mpich + tbb: + require: intel-tbb + boost: + version: [1.79.0] + variants: +atomic +chrono +container +date_time +exception +filesystem +graph + +iostreams +locale +log +math +mpi +multithreaded +program_options +random + +regex +serialization +shared +signals +stacktrace +system +test +thread +timer + cxxstd=17 visibility=global + vtk-m: + require: "+examples" + cuda: + require: '@:12.2.0 target=x86_64' + prefer: + - '@12.2.0' + - '@11.8.0' + externals: + - spec: cuda@12.2.0 + prefix: /usr/local/cuda + raja: + variants: +plugins + comgr: + buildable: false + externals: + - spec: comgr@5.7.1 + prefix: /opt/rocm-5.7.1/ + hip-rocclr: + buildable: false + externals: + - spec: hip-rocclr@5.7.1 + prefix: /opt/rocm-5.7.1/hip + hipblas: + buildable: false + externals: + - spec: hipblas@5.7.1 + prefix: /opt/rocm-5.7.1/ + hipcub: + buildable: false + externals: + - spec: hipcub@5.7.1 + prefix: /opt/rocm-5.7.1/ + hipfft: + buildable: false + externals: + - spec: hipfft@5.7.1 + prefix: /opt/rocm-5.7.1/ + hipsparse: + buildable: false + externals: + - spec: hipsparse@5.7.1 + prefix: /opt/rocm-5.7.1/ + miopen-hip: + buildable: false + externals: + - spec: miopen-hip@5.7.1 + prefix: /opt/rocm-5.7.1/ + miopengemm: + buildable: false + externals: + - spec: miopengemm@5.7.1 + prefix: /opt/rocm-5.7.1/ + rccl: + buildable: false + externals: + - spec: rccl@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocblas: + buildable: false + externals: + - spec: rocblas@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocfft: + buildable: false + externals: + - spec: rocfft@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocm-clang-ocl: + buildable: false + externals: + - spec: rocm-clang-ocl@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocm-cmake: + buildable: false + externals: + - spec: rocm-cmake@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocm-dbgapi: + buildable: false + externals: + - spec: rocm-dbgapi@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocm-debug-agent: + buildable: false + externals: + - spec: rocm-debug-agent@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocm-device-libs: + buildable: false + externals: + - spec: rocm-device-libs@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocm-gdb: + buildable: false + externals: + - spec: rocm-gdb@5.7.1 + prefix: /opt/rocm-5.7.1/ + rocm-opencl: + buildable: false + externals: + - spec: rocm-opencl@5.7.1 + prefix: /opt/rocm-5.7.1/opencl + rocm-smi-lib: + buildable: false + externals: + - spec: rocm-smi-lib@5.7.1 + prefix: /opt/rocm-5.7.1/ + hip: + buildable: false + externals: + - spec: hip@5.7.1 + prefix: /opt/rocm-5.7.1 + extra_attributes: + compilers: + c: /opt/rocm-5.7.1/llvm/bin/clang++ + c++: /opt/rocm-5.7.1/llvm/bin/clang++ + hip: /opt/rocm-5.7.1/hip/bin/hipcc + hipify-clang: + buildable: false + externals: + - spec: hipify-clang@5.7.1 + prefix: /opt/rocm-5.7.1 + llvm-amdgpu: + buildable: false + externals: + - spec: llvm-amdgpu@5.7.1 + prefix: /opt/rocm-5.7.1/llvm + extra_attributes: + compilers: + c: /opt/rocm-5.7.1/llvm/bin/clang++ + cxx: /opt/rocm-5.7.1/llvm/bin/clang++ + hsakmt-roct: + buildable: false + externals: + - spec: hsakmt-roct@5.7.1 + prefix: /opt/rocm-5.7.1/ + hsa-rocr-dev: + buildable: false + externals: + - spec: hsa-rocr-dev@5.7.1 + prefix: /opt/rocm-5.7.1/ + extra_atributes: + compilers: + c: /opt/rocm-5.7.1/llvm/bin/clang++ + cxx: /opt/rocm-5.7.1/llvm/bin/clang++ + roctracer-dev-api: + buildable: false + externals: + - spec: roctracer-dev-api@5.7.1 + prefix: /opt/rocm-5.7.1 + roctracer-dev: + buildable: false + externals: + - spec: roctracer-dev@4.5.3 + prefix: /opt/rocm-5.7.1 + rocprim: + buildable: false + externals: + - spec: rocprim@5.7.1 + prefix: /opt/rocm-5.7.1 + rocrand: + buildable: false + externals: + - spec: rocrand@5.7.1 + prefix: /opt/rocm-5.7.1 + hipsolver: + buildable: false + externals: + - spec: hipsolver@5.7.1 + prefix: /opt/rocm-5.7.1 + rocsolver: + buildable: false + externals: + - spec: rocsolver@5.7.1 + prefix: /opt/rocm-5.7.1 + rocsparse: + buildable: false + externals: + - spec: rocsparse@5.7.1 + prefix: /opt/rocm-5.7.1 + rocthrust: + buildable: false + externals: + - spec: rocthrust@5.7.1 + prefix: /opt/rocm-5.7.1 + rocprofiler-dev: + buildable: false + externals: + - spec: rocprofiler-dev@5.7.1 + prefix: /opt/rocm-5.7.1 + + specs: + # ROCM NOARCH + - hpctoolkit +rocm + - tau +mpi +rocm +syscall +rocprofiler + + + # ROCM 90a + - amrex +rocm amdgpu_target=gfx90a + - arborx +rocm amdgpu_target=gfx90a + - cabana +rocm amdgpu_target=gfx90a ^kokkos +rocm amdgpu_target=gfx90a + - caliper +rocm amdgpu_target=gfx90a + - chai tests=none +rocm amdgpu_target=gfx90a + - ecp-data-vis-sdk +paraview +vtkm +rocm amdgpu_target=gfx90a + - exago +mpi +python +raja +hiop +rocm amdgpu_target=gfx90a ~ipopt cxxflags="-Wno-error=non-pod-varargs" ^hiop@1.0.0 ~sparse +mpi +raja +rocm amdgpu_target=gfx90a + - gasnet +rocm amdgpu_target=gfx90a + - ginkgo +rocm amdgpu_target=gfx90a + - heffte +rocm amdgpu_target=gfx90a + - hpx +rocm amdgpu_target=gfx90a + - hypre +rocm amdgpu_target=gfx90a + - kokkos +rocm amdgpu_target=gfx90a + - legion +rocm amdgpu_target=gfx90a + - magma ~cuda +rocm amdgpu_target=gfx90a + - mfem +rocm amdgpu_target=gfx90a + - petsc +rocm amdgpu_target=gfx90a + - raja ~openmp +rocm amdgpu_target=gfx90a + - slate +rocm amdgpu_target=gfx90a + - slepc +rocm amdgpu_target=gfx90a ^petsc +rocm amdgpu_target=gfx90a + - strumpack ~slate +rocm amdgpu_target=gfx90a + - sundials +rocm amdgpu_target=gfx90a + - superlu-dist +rocm amdgpu_target=gfx90a + - tasmanian ~openmp +rocm amdgpu_target=gfx90a + - trilinos +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 +rocm amdgpu_target=gfx90a + - umpire +rocm amdgpu_target=gfx90a + - upcxx +rocm amdgpu_target=gfx90a + # INCLUDED IN ECP DAV ROCM + # - hdf5 + # - hdf5-vol-async + # - hdf5-vol-cache + # - hdf5-vol-log + # - libcatalyst + # - paraview +rocm amdgpu_target=gfx90a + # -- + # - vtk-m ~openmp +rocm amdgpu_target=gfx90a # vtk-m: g++: error: language hip not recognized + # -- + # - cp2k +mpi +rocm amdgpu_target=gfx90a # cp2k: /spack/var/spack/repos/builtin/packages/cp2k/package.py:679, in edit: "-L{}".format(spec["rocm"].libs.directories[0]), + # - lbann ~cuda +rocm amdgpu_target=gfx90a # aluminum: https://github.com/spack/spack/issues/38807 + # - papi +rocm amdgpu_target=gfx90a # papi: https://github.com/spack/spack/issues/27898 + + + # ROCM 908 + - amrex +rocm amdgpu_target=gfx908 + - arborx +rocm amdgpu_target=gfx908 + - cabana +rocm amdgpu_target=gfx908 ^kokkos +rocm amdgpu_target=gfx908 + - caliper +rocm amdgpu_target=gfx908 + - chai tests=none +rocm amdgpu_target=gfx908 + - ecp-data-vis-sdk +paraview +vtkm +rocm amdgpu_target=gfx908 + - exago +mpi +python +raja +hiop +rocm amdgpu_target=gfx908 ~ipopt cxxflags="-Wno-error=non-pod-varargs" ^hiop@1.0.0 ~sparse +mpi +raja +rocm amdgpu_target=gfx908 + - gasnet +rocm amdgpu_target=gfx908 + - ginkgo +rocm amdgpu_target=gfx908 + - heffte +rocm amdgpu_target=gfx908 + - hpx +rocm amdgpu_target=gfx908 + - hypre +rocm amdgpu_target=gfx908 + - kokkos +rocm amdgpu_target=gfx908 + - legion +rocm amdgpu_target=gfx908 + - magma ~cuda +rocm amdgpu_target=gfx908 + - mfem +rocm amdgpu_target=gfx908 + - petsc +rocm amdgpu_target=gfx908 + - raja ~openmp +rocm amdgpu_target=gfx908 + - slate +rocm amdgpu_target=gfx908 + - slepc +rocm amdgpu_target=gfx908 ^petsc +rocm amdgpu_target=gfx908 + - strumpack ~slate +rocm amdgpu_target=gfx908 + - sundials +rocm amdgpu_target=gfx908 + - superlu-dist +rocm amdgpu_target=gfx908 + - tasmanian ~openmp +rocm amdgpu_target=gfx908 + - trilinos +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 +rocm amdgpu_target=gfx908 + - umpire +rocm amdgpu_target=gfx908 + - upcxx +rocm amdgpu_target=gfx908 + # INCLUDED IN ECP DAV ROCM + # - hdf5 + # - hdf5-vol-async + # - hdf5-vol-cache + # - hdf5-vol-log + # - libcatalyst + # - paraview +rocm amdgpu_target=gfx908 + # -- + # - vtk-m ~openmp +rocm amdgpu_target=gfx908 # vtk-m: g++: error: language hip not recognized + # -- + # - cp2k +mpi +rocm amdgpu_target=gfx908 # cp2k: /spack/var/spack/repos/builtin/packages/cp2k/package.py:679, in edit: "-L{}".format(spec["rocm"].libs.directories[0]), + # - lbann ~cuda +rocm amdgpu_target=gfx908 # aluminum: https://github.com/spack/spack/issues/38807 + # - papi +rocm amdgpu_target=gfx908 # papi: https://github.com/spack/spack/issues/27898 + diff --git a/environments/24.05/amd64-oneapi-ubuntu22.04/spack.yaml b/environments/24.05/amd64-oneapi-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..023a9e3 --- /dev/null +++ b/environments/24.05/amd64-oneapi-ubuntu22.04/spack.yaml @@ -0,0 +1,251 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + compilers: + - compiler: + spec: gcc@=11.4.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu22.04 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] + - compiler: + spec: oneapi@=2024.0.2 + paths: + cc: /opt/intel/oneapi/compiler/2024.0/bin/icx + cxx: /opt/intel/oneapi/compiler/2024.0/bin/icpx + f77: /opt/intel/oneapi/compiler/2024.0/bin/ifx + fc: /opt/intel/oneapi/compiler/2024.0/bin/ifx + flags: {} + operating_system: ubuntu22.04 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] + + packages: + all: + target: [x86_64] + require: '%oneapi target=x86_64' + providers: + blas: [openblas] + tbb: [intel-tbb] + variants: +mpi + elfutils: + variants: +bzip2 ~nls +xz + hdf5: + require: "%gcc target=x86_64" + variants: +fortran +hl +shared + libfabric: + variants: fabrics=sockets,tcp,udp,rxm + libunwind: + variants: +pic +xz + ncurses: + variants: +termlib + openblas: + variants: threads=openmp + 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 + xz: + variants: +pic + mpi: + require: intel-oneapi-mpi + intel-oneapi-mpi: + buildable: false + externals: + - spec: intel-oneapi-mpi@2021.11.0 + prefix: /opt/intel/oneapi + gcc-runtime: + require: "%gcc target=x86_64" + unzip: + require: '%gcc target=x86_64' + binutils: + require: '%gcc target=x86_64' + variants: +ld +gold +headers +libiberty ~nls + llvm: + require: '%gcc target=x86_64' + ruby: + require: '%gcc target=x86_64' + rust: + require: '%gcc target=x86_64' + krb5: + require: '%gcc target=x86_64' + papi: + require: '%gcc target=x86_64' + openssh: + require: '%gcc target=x86_64' + dyninst: + require: "%gcc target=x86_64" + bison: + require: '%gcc target=x86_64' + raja: + variants: +plugins + + specs: + # CPU + - adios + - aml + - amrex + - arborx + - argobots + - axom + - bolt + - boost + - bricks ~cuda + - butterflypack + - cabana + - caliper + - chai tests=none + - charliecloud + - conduit + - datatransferkit + - dealii + - e4s-alc + - e4s-cl + - ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc ~visit +vtkm +zfp ^paraview~qt # +paraview: struct format_handler : error_handler {; +visit ^visit~gui: visit_vtk/lightweight/vtkSkewLookupTable.C:32:10: error: cannot initialize return object of type 'unsigned char *' with an rvalue of type 'const unsigned char *' + - exago +mpi ~ipopt +hiop ~python +raja ^hiop+raja~sparse + - exaworks + - flecsi + - flit + - flux-core + - fortrilinos + - gasnet + - ginkgo + - globalarrays + - gmp + - gotcha + - gptune ~mpispawn + - gromacs + - h5bench + - hdf5-vol-async + - hdf5-vol-cache + - hdf5-vol-log + - heffte +fftw + - hpx networking=mpi + - hypre + - kokkos +openmp + - kokkos-kernels +openmp + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff + - lbann + - legion + - libnrm + - libquo + - libunwind + - loki + - mercury + - metall + - mfem + - mgard +serial +openmp +timing +unstructured ~cuda + - mpark-variant + - mpifileutils ~xattr + - nccmp + - nco + - nekbone +mpi + - netcdf-fortran + - netlib-scalapack + - nrm + - omega-h + - openmpi + - openpmd-api + - papi target=x86_64 + - papyrus + - parsec ~cuda + - pdt + - petsc + - phist + - plasma + - plumed + - precice + - pruners-ninja + - pumi + - py-h5py + - py-jupyterhub + - py-libensemble + - py-petsc4py + - py-warpx + - qthreads scheduler=distrib + - raja + - rempi + - scr + - slate ~cuda + - slepc + - stc + - strumpack ~slate + - sundials + - superlu + - superlu-dist + - swig@4.0.2-fortran + - sz3 + - tasmanian + - tau +mpi +python +syscall # +dyninst ^dyninst@13.0.0: dyninst: libiberty-2.41-4h2aql7qozkig4eeieptu5zfi4nltyeb/spack-src/libiberty/./d-demangle.c:159: undefined reference to `_intel_fast_memcpy' + - trilinos +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 + - 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 + - umap + - umpire + - upcxx + - variorum + - wannier90 + - xyce +mpi +shared +pymi +pymi_static_tpls + - laghos ^mfem~cuda + - glvis ^mesa@23.2.1 + # INCLUDED IN ECP DAV CPU + # - adios2 + # - ascent + # - darshan-runtime + # - darshan-util + # - faodel + # - hdf5 + # - libcatalyst + # - parallel-netcdf + # - py-cinemasci + # - sz + # - unifyfs + # - veloc + # - vtk-m ~openmp # +openmp: https://github.com/spack/spack/issues/31830 + # - zfp + # -- + # - paraview ~qt # paraview: VTK/ThirdParty/cgns/vtkcgns/src/adfh/ADFH.c:1993:21: error: incompatible function pointer types passing 'herr_t (hid_t, const char *, const H5L_info1_t *, void *)' (aka 'int (long, const char *, const H5L_info1_t *, void *)') to parameter of type 'H5L_iterate2_t' (aka 'int (*)(long, const char *, const H5L_info2_t *, void *)') [-Wincompatible-function-pointer-types] + # - visit # silo: https://github.com/spack/spack/issues/39538 + # -- + # - alquimia # pflotran: https://github.com/spack/spack/issues/39474 + # - cp2k +mpi # dbcsr: FAILED: src/CMakeFiles/dbcsr.dir/block/dbcsr_block_operations.F-pp.f src/CMakeFiles/dbcsr.dir/block/dbcsr_block_operations.F.o.ddi: dbcsr_block_operations.F(1207): #error: incomplete macro call DBCSR_ABORT. + # - fpm # fpm: fpm.F90(28205): error #6136: Derived-type declared must be ABSTRACT [GIT_TARGET_T] + # - geopm # py-tables: tables/utilsextension.c:23020:5: error: incomplete definition of type 'struct _frame'; geopm: https://github.com/spack/spack/issues/38795 + # - hpctoolkit # dyninst%gcc: /usr/bin/ld: libiberty/./d-demangle.c:142: undefined reference to `_intel_fast_memcpy'; can't mix intel-tbb@%oneapi with dyninst%gcc + # - libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp # py-numcodecs: https://github.com/spack/spack/issues/40766 + # - nek5000 +mpi ~visit # nek5000: Error: RuntimeError: Cannot build example: short_tests/eddy. + # - openfoam # cgal: https://github.com/spack/spack/issues/39481 + # - py-deephyper # py-dm-tree: abseil-cpp/src/abseil-cpp/absl/random/internal/randen_detect.cc:46:13: error: static declaration of '__cpuid' follows non-static declaration + # - quantum-espresso # quantum-espresso: PHonon/CMakeFiles/qe_phonon_ph.dir/build.make:1846: PHonon/CMakeFiles/qe_phonon_ph.dir/PH/symdynph_gq.f90.o: ICE + + # GPU + - aml +ze + - amrex +sycl + - arborx +sycl ^kokkos +sycl +openmp cxxstd=17 +tests +examples + - cabana +sycl ^kokkos +sycl +openmp cxxstd=17 +tests +examples + - ginkgo +sycl + - heffte +sycl + - kokkos +sycl +openmp cxxstd=17 +tests +examples + - kokkos-kernels build_type=Release %oneapi ^kokkos +sycl +openmp cxxstd=17 +tests +examples + - petsc +sycl + - slate +sycl ^intel-oneapi-mkl@2023 + - sundials +sycl +examples-install cxxstd=17 + - tau +mpi +opencl +level_zero +syscall + - upcxx +level_zero + # -- + # - hpctoolkit +level_zero # dyninst@12.3.0%gcc: /usr/bin/ld: libiberty/./d-demangle.c:142: undefined reference to `_intel_fast_memcpy'; can't mix intel-tbb@%oneapi with dyninst%gcc + # - hypre +sycl # hypre: _hypre_onedpl.hpp:18:10: fatal error: 'oneapi/dpl/execution' file not found \ No newline at end of file diff --git a/environments/24.05/arm64-gcc-cpu-ubuntu22.04/spack.yaml b/environments/24.05/arm64-gcc-cpu-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..20752c5 --- /dev/null +++ b/environments/24.05/arm64-gcc-cpu-ubuntu22.04/spack.yaml @@ -0,0 +1,216 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + compilers: + - compiler: + spec: gcc@11.4.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu22.04 + target: aarch64 + modules: [] + environment: {} + extra_rpaths: [] + + packages: + all: + target: [aarch64] + require: '%gcc@11.4.0 target=aarch64' + providers: + blas: [openblas] + variants: +mpi + binutils: + variants: +ld +gold +headers +libiberty ~nls + elfutils: + variants: +bzip2 ~nls +xz + hdf5: + variants: +fortran +hl +shared + libfabric: + variants: fabrics=sockets,tcp,udp,rxm + libunwind: + variants: +pic +xz + openblas: + variants: threads=openmp + 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 + xz: + variants: +pic + mpi: + require: mpich + mpich: + require: '@4.1.2 ~wrapperrpath ~hwloc target=aarch64' + buildable: false + externals: + - spec: mpich@4.1.2 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=pmi + prefix: /usr/local/mpich/install/mpich + tbb: + require: intel-tbb + boost: + version: [1.79.0] + variants: +atomic +chrono +container +date_time +exception +filesystem +graph + +iostreams +locale +log +math +mpi +multithreaded +program_options +random + +regex +serialization +shared +signals +stacktrace +system +test +thread +timer + cxxstd=17 visibility=global + vtk-m: + require: "+examples target=aarch64" + cuda: + require: '@:12.2.0 target=aarch64' + prefer: + - '@12.2.0' + - '@11.8.0' + externals: + - spec: cuda@12.2.0 + prefix: /usr/local/cuda + raja: + variants: +plugins + + specs: + # CPU + - adios + - alquimia + - aml + - amrex + - arborx + - argobots + - axom + - bolt + - boost + - butterflypack + - cabana + - caliper + - chai tests=none + - charliecloud + - conduit + - cp2k +mpi + - datatransferkit + - dealii + - dyninst + - ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc +visit +vtkm +zfp ^paraview+qt ^visit ~gui # +visit +gui: https://github.com/spack/spack/issues/40731 + - exago +mpi ~ipopt +hiop ~python +raja ^hiop+raja~sparse + - exaworks + - flecsi + - flit + - flux-core + - fortrilinos + - fpm + - e4s-cl + - e4s-alc + - netcdf-fortran + - gasnet + - ginkgo + - globalarrays + - gmp + - gotcha + - gptune ~mpispawn + - gromacs + - h5bench + - hdf5-vol-async + - hdf5-vol-cache + - hdf5-vol-log + - heffte +fftw + - hpctoolkit + - hpx networking=mpi + - hypre + - kokkos +openmp + - kokkos-kernels +openmp + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff + - lbann + - legion + - libnrm + - libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp + - libquo + - libunwind + - loki + - mercury + - metall + - mfem + - mgard +serial +openmp +timing +unstructured ~cuda + - mpark-variant + - mpifileutils ~xattr + - nccmp + - nco + - nek5000 +mpi ~visit + - nekbone +mpi + - netlib-scalapack + - nrm + - nvhpc + - omega-h + - openfoam + - openmpi + - openpmd-api + - papi + - papyrus + - parsec ~cuda + - pdt + - petsc + - phist + - plasma + - plumed + - precice + - pruners-ninja + - pumi + - py-deephyper + - py-h5py + - py-jupyterhub + - py-libensemble + - py-petsc4py + - py-warpx + - qthreads scheduler=distrib + - quantum-espresso + - raja + - rempi + - scr + - slate ~cuda + - slepc + - stc + - strumpack ~slate + - sundials + - superlu + - superlu-dist + - swig@4.0.2-fortran + - sz3 + - tasmanian + - tau +mpi +python +syscall +dyninst ^dyninst@13.0.0 + - 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 + - trilinos +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 + - umap + - umpire + - upcxx + - wannier90 + - xyce +mpi +shared +pymi +pymi_static_tpls + # INCLUDED IN ECP DAV CPU + # - ascent + # - adios2 + # - darshan-runtime + # - darshan-util + # - faodel + # - hdf5 + # - libcatalyst + # - parallel-netcdf + # - paraview + # - py-cinemasci + # - sz + # - unifyfs + # - veloc + # - vtk-m + # - zfp + # -- + # - visit # silo: https://github.com/spack/spack/issues/39538 + # -- + # - bricks ~cuda # bricks: stencils/cpuvfold.h:27:2: error: #error "This is for SVE512" + # - geopm # py-tables: tables/utilsextension.c:445:62: error: invalid use of incomplete typedef 'PyFrameObject' {aka 'struct _frame'}; geopm: https://github.com/spack/spack/issues/38795 + # - glvis ^mesa@23.0.3 # mesa: https://github.com/spack/spack/issues/42632 + # - laghos ^mfem~cuda # laghos: https://github.com/spack/spack/issues/42633 + # - variorum # variorum: https://github.com/spack/spack/issues/38786 \ No newline at end of file diff --git a/environments/24.05/arm64-gcc-cuda-ubuntu22.04/spack.yaml b/environments/24.05/arm64-gcc-cuda-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..105918b --- /dev/null +++ b/environments/24.05/arm64-gcc-cuda-ubuntu22.04/spack.yaml @@ -0,0 +1,233 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + compilers: + - compiler: + spec: gcc@11.4.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu22.04 + target: aarch64 + modules: [] + environment: {} + extra_rpaths: [] + + packages: + all: + target: [aarch64] + require: '%gcc@11.4.0 target=aarch64' + providers: + blas: [openblas] + variants: +mpi + binutils: + variants: +ld +gold +headers +libiberty ~nls + elfutils: + variants: +bzip2 ~nls +xz + hdf5: + variants: +fortran +hl +shared + libfabric: + variants: fabrics=sockets,tcp,udp,rxm + libunwind: + variants: +pic +xz + openblas: + variants: threads=openmp + 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 + xz: + variants: +pic + mpi: + require: mpich + mpich: + require: '@4.1.2 ~wrapperrpath ~hwloc target=aarch64' + buildable: false + externals: + - spec: mpich@4.1.2 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=pmi + prefix: /usr/local/mpich/install/mpich + tbb: + require: intel-tbb + boost: + version: [1.79.0] + variants: +atomic +chrono +container +date_time +exception +filesystem +graph + +iostreams +locale +log +math +mpi +multithreaded +program_options +random + +regex +serialization +shared +signals +stacktrace +system +test +thread +timer + cxxstd=17 visibility=global + vtk-m: + require: "+examples target=aarch64" + cuda: + require: '@:12.2.0 target=aarch64' + prefer: + - '@12.2.0' + - '@11.8.0' + externals: + - spec: cuda@12.2.0 + prefix: /usr/local/cuda + raja: + variants: +plugins + + specs: + # CUDA NOARCH + - flux-core +cuda + - hpctoolkit +cuda + - legion +cuda + - papi +cuda + - tau +mpi +cuda +syscall + # -- + # - bricks +cuda # bricks: VSBrick-cond.py-ASIMD-8x8x8-2:1542:19: error: 'vst1q_u32' was not declared in this scope; did you mean 'svst1h_u32'? + + + # CUDA 75 + - amrex +cuda cuda_arch=75 + - arborx +cuda cuda_arch=75 ^kokkos +wrapper + - axom +cuda cuda_arch=75 + - cabana +cuda cuda_arch=75 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=75 + - caliper +cuda cuda_arch=75 + - chai tests=none +cuda cuda_arch=75 ^umpire ~shared + - cusz +cuda cuda_arch=75 + - dealii +cuda cuda_arch=75 + - ecp-data-vis-sdk +adios2 +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=75 + - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=75 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=75 + - flecsi +cuda cuda_arch=75 + - ginkgo +cuda cuda_arch=75 + - gromacs +cuda cuda_arch=75 + - heffte +cuda cuda_arch=75 + - hpx +cuda cuda_arch=75 + - hypre +cuda cuda_arch=75 + - kokkos +wrapper +cuda cuda_arch=75 + - kokkos-kernels +cuda cuda_arch=75 ^kokkos +wrapper +cuda cuda_arch=75 + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff +cuda cuda_arch=75 + - lbann +cuda cuda_arch=75 ^cuda@11.8.0 + - magma +cuda cuda_arch=75 + - mfem +cuda cuda_arch=75 + - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=75 + - omega-h +cuda cuda_arch=75 ^cuda@11.8.0 + - parsec +cuda cuda_arch=75 + - petsc +cuda cuda_arch=75 + - raja +cuda cuda_arch=75 + - slate +cuda cuda_arch=75 + - slepc +cuda cuda_arch=75 + - strumpack ~slate +cuda cuda_arch=75 + - sundials +cuda cuda_arch=75 + - superlu-dist +cuda cuda_arch=75 + - tasmanian +cuda cuda_arch=75 + - trilinos +cuda cuda_arch=75 + - umpire ~shared +cuda cuda_arch=75 + - upcxx +cuda cuda_arch=75 + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=75 + # - paraview +cuda cuda_arch=75 + # - vtk-m +cuda cuda_arch=75 + # - zfp +cuda cuda_arch=75 + # -- + # - ascent +cuda cuda_arch=75 # ascent: https://github.com/spack/spack/issues/38045 + # -- + # - cp2k +mpi +cuda cuda_arch=75 # cp2k: concretization failed for the following reasons: 1. cp2k: cp2k only supports cuda_arch ('35', '37', '60', '70', '80') + # - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf ~cusz +mgard +cuda cuda_arch=75 # libpressio: CMake Error at CMakeLists.txt:498 (find_library): Could not find CUFile_LIBRARY using the following names: cufile + + + # CUDA 80 + - amrex +cuda cuda_arch=80 + - arborx +cuda cuda_arch=80 ^kokkos +wrapper + - axom +cuda cuda_arch=80 + - cabana +cuda cuda_arch=80 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=80 + - caliper +cuda cuda_arch=80 + - chai tests=none +cuda cuda_arch=80 ^umpire ~shared + - cusz +cuda cuda_arch=80 + - dealii +cuda cuda_arch=80 + - ecp-data-vis-sdk +adios2 +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=80 + - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=80 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=80 + - flecsi +cuda cuda_arch=80 + - ginkgo +cuda cuda_arch=80 + - gromacs +cuda cuda_arch=80 + - heffte +cuda cuda_arch=80 + - hpx +cuda cuda_arch=80 + - hypre +cuda cuda_arch=80 + - kokkos +wrapper +cuda cuda_arch=80 + - kokkos-kernels +cuda cuda_arch=80 ^kokkos +wrapper +cuda cuda_arch=80 + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff +cuda cuda_arch=80 + - lbann +cuda cuda_arch=80 ^cuda@11.8.0 + - magma +cuda cuda_arch=80 + - mfem +cuda cuda_arch=80 + - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=80 + - omega-h +cuda cuda_arch=80 ^cuda@11.8.0 + - parsec +cuda cuda_arch=80 + - petsc +cuda cuda_arch=80 + - raja +cuda cuda_arch=80 + - slate +cuda cuda_arch=80 + - slepc +cuda cuda_arch=80 + - strumpack ~slate +cuda cuda_arch=80 + - sundials +cuda cuda_arch=80 + - superlu-dist +cuda cuda_arch=80 + - tasmanian +cuda cuda_arch=80 + - trilinos +cuda cuda_arch=80 + - umpire ~shared +cuda cuda_arch=80 + - upcxx +cuda cuda_arch=80 + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=80 + # - paraview +cuda cuda_arch=80 + # - vtk-m +cuda cuda_arch=80 + # - zfp +cuda cuda_arch=80 + # -- + # - ascent +cuda cuda_arch=80 # ascent: https://github.com/spack/spack/issues/38045 + # -- + # - cp2k +mpi +cuda cuda_arch=80 # cp2k: KeyError: 'Point environment variable LIBSMM_PATH to the absolute path of the libsmm.a file' + # - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf ~cusz +mgard +cuda cuda_arch=80 # libpressio: CMake Error at CMakeLists.txt:498 (find_library): Could not find CUFile_LIBRARY using the following names: cufile + + + # CUDA 90 + - amrex +cuda cuda_arch=90 + - arborx +cuda cuda_arch=90 ^kokkos +wrapper + - axom +cuda cuda_arch=90 + - cabana +cuda cuda_arch=90 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=90 + - caliper +cuda cuda_arch=90 + - chai tests=none +cuda cuda_arch=90 ^umpire ~shared + - cusz +cuda cuda_arch=90 + - ecp-data-vis-sdk +adios2 +hdf5 +vtkm +zfp ~paraview +cuda cuda_arch=90 + - flecsi +cuda cuda_arch=90 + - ginkgo +cuda cuda_arch=90 + - gromacs +cuda cuda_arch=90 + - heffte +cuda cuda_arch=90 + - hpx +cuda cuda_arch=90 + - hypre +cuda cuda_arch=90 + - kokkos +wrapper +cuda cuda_arch=90 + - kokkos-kernels +cuda cuda_arch=90 ^kokkos +wrapper +cuda cuda_arch=90 + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff +cuda cuda_arch=90 + - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf ~cusz +mgard +cuda cuda_arch=90 # libpressio: CMake Error at CMakeLists.txt:498 (find_library): Could not find CUFile_LIBRARY using the following names: cufile + - magma +cuda cuda_arch=90 + - mfem +cuda cuda_arch=90 + - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=90 + - parsec +cuda cuda_arch=90 + - petsc +cuda cuda_arch=90 + - raja +cuda cuda_arch=90 + - slate +cuda cuda_arch=90 + - slepc +cuda cuda_arch=90 + - strumpack ~slate +cuda cuda_arch=90 + - sundials +cuda cuda_arch=90 + - superlu-dist +cuda cuda_arch=90 + - tasmanian +cuda cuda_arch=90 + - trilinos +cuda cuda_arch=90 + - umpire ~shared +cuda cuda_arch=90 + - upcxx +cuda cuda_arch=90 + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=90 + # - vtk-m +cuda cuda_arch=90 target=aarch64 + # - zfp +cuda cuda_arch=90 + # -- + # - ascent +cuda cuda_arch=90 # ascent: https://github.com/spack/spack/issues/38045 + # - paraview +cuda cuda_arch=90 # paraview: InstallError: Incompatible cuda_arch=90 + # -- + # - cp2k +mpi +cuda cuda_arch=90 # cp2k: concretization failed for the following reasons: 1. cp2k: cp2k only supports cuda_arch ('35', '37', '60', '70', '80') + # - dealii +cuda cuda_arch=90 # trilinos@13.4.1: CMake Error: File /tmp/root/spack-stage/spack-stage-trilinos-13.4.1-totrl2sqhecbgedub6i43vtokaxcjgj6/spack-src/cmake/compile_tests/cuda_compute_capability.cc does not exist.; dealii: https://github.com/spack/spack/issues/39532 + # - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=90 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=90 # hiop conflicts with cuda@12 needed for cuda_arch=90 + # - lbann +cuda cuda_arch=90 # dihydrogen: gpu/memory_utils.cpp:112:34: error: 'MemoryPool' is not a member of 'hydrogen::cub' + # - omega-h +cuda cuda_arch=90 # omega-h: https://github.com/spack/spack/issues/39535 \ No newline at end of file diff --git a/environments/24.05/ppc64-gcc-cpu-ubuntu20.04/spack.yaml b/environments/24.05/ppc64-gcc-cpu-ubuntu20.04/spack.yaml new file mode 100644 index 0000000..55f247c --- /dev/null +++ b/environments/24.05/ppc64-gcc-cpu-ubuntu20.04/spack.yaml @@ -0,0 +1,210 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + compilers: + - compiler: + spec: gcc@9.4.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu20.04 + target: ppc64le + modules: [] + environment: {} + extra_rpaths: [] + + packages: + all: + target: [ppc64le] + require: "%gcc@9.4.0 target=ppc64le" + providers: + blas: [openblas] + mpi: [mpich] + variants: +mpi + binutils: + variants: +ld +gold +headers +libiberty ~nls + elfutils: + variants: +bzip2 ~nls +xz + hdf5: + variants: +fortran +hl +shared + libfabric: + require: "@1.18.1 target=ppc64le" + variants: fabrics=sockets,tcp,udp,rxm + libunwind: + variants: +pic +xz + openblas: + variants: threads=openmp + 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 + xz: + variants: +pic + mpi: + require: mpich + mpich: + require: '@4.1.2 ~wrapperrpath ~hwloc target=ppc64le' + buildable: false + externals: + - spec: mpich@4.1.2 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=pmi + prefix: /usr/local/mpich/install/mpich + faodel: + require: "~tcmalloc target=ppc64le" + tbb: + require: intel-tbb + vtk-m: + require: "+examples target=ppc64le" + cuda: + require: "@11.4.4 target=ppc64le" + raja: + variants: +plugins + + + specs: + # CPU + - adios + - alquimia + - aml + - amrex + - arborx + - argobots + - axom + - bolt + - boost + - bricks + - butterflypack + - cabana + - caliper + - chai tests=none + - charliecloud + - conduit + - cp2k +mpi + - datatransferkit + - dyninst + - e4s-alc + - e4s-cl + - ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc +visit +vtkm +zfp ^paraview+qt ^visit ~gui # +visit +gui: https://github.com/spack/spack/issues/40731 + - exago +mpi ~ipopt +hiop ~python +raja ^hiop+raja~sparse + - exaworks + - flecsi + - flit + - flux-core + - fortrilinos + - fpm + - gasnet + - ginkgo + - globalarrays + - glvis ^mesa@23.2.1 + - gmp + - gotcha + - gptune + - gromacs + - h5bench + - hdf5-vol-async + - hdf5-vol-cache + - hdf5-vol-log + - heffte +fftw + - hpctoolkit + - hpx networking=mpi + - hypre + - kokkos +openmp + - kokkos-kernels +openmp + - laghos ^mfem~cuda + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff + - lbann + - legion + - libnrm + - libpressio +bitgrooming +bzip2 ~cuda ~cusz +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp + - libquo + - libunwind + - loki + - mercury + - metall + - mfem + - mgard +serial +openmp +timing +unstructured ~cuda + - mpark-variant + - mpifileutils ~xattr + - nccmp + - nco + - nek5000 +mpi ~visit + - nekbone +mpi + - netcdf-fortran + - netlib-scalapack + - nrm + - nvhpc + - omega-h + - openfoam + - openmpi + - openpmd-api + - papi + - papyrus + - parsec ~cuda + - pdt + - petsc + - plasma + - plumed + - precice + - pruners-ninja + - pumi + - py-deephyper + - py-h5py + - py-jupyterhub + - py-libensemble + - py-petsc4py + - py-warpx + - qthreads scheduler=distrib + - quantum-espresso + - raja + - rempi + - scr + - slate ~cuda + - slepc + - stc + - strumpack ~slate + - sundials + - superlu + - superlu-dist + - swig@4.0.2-fortran + - sz3 + - tasmanian + - tau +mpi +python +dyninst ^dyninst@13.0.0 + - trilinos +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 + - 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 + - umap + - umpire + - upcxx + - wannier90 + - xyce +mpi +shared +pymi +pymi_static_tpls + # INCLUDED IN ECP DAV CPU + # - adios2 + # - ascent + # - darshan-runtime + # - darshan-util + # - faodel + # - hdf5 + # - libcatalyst + # - parallel-netcdf + # - paraview + # - paraview ~cuda ~rocm + # - py-cinemasci + # - sz + # - unifyfs + # - veloc + # - vtk-m + # - zfp + # -- + # - visit # silo: https://github.com/spack/spack/issues/39538 + # -- + # - dealii # fltk: https://github.com/spack/spack/issues/38791 + # - geopm # py-tables: tables/utilsextension.c:22152:17: error: '_PyErr_StackItem' {aka 'struct _err_stackitem'} has no member named 'exc_traceback'; geopm: https://github.com/spack/spack/issues/38798 + # - phist +mpi # phist: kernels/petsc/kernels_def.hpp:308:53: error: cannot convert 'int*' to 'PetscInt*' {aka 'long int*'} + # - variorum # variorum: https://github.com/spack/spack/issues/38786 \ No newline at end of file diff --git a/environments/24.05/ppc64-gcc-cuda-ubuntu20.04/spack.yaml b/environments/24.05/ppc64-gcc-cuda-ubuntu20.04/spack.yaml new file mode 100644 index 0000000..38bc0b2 --- /dev/null +++ b/environments/24.05/ppc64-gcc-cuda-ubuntu20.04/spack.yaml @@ -0,0 +1,127 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + compilers: + - compiler: + spec: gcc@9.4.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu20.04 + target: ppc64le + modules: [] + environment: {} + extra_rpaths: [] + + packages: + all: + target: [ppc64le] + require: "%gcc@9.4.0 target=ppc64le" + providers: + blas: [openblas] + mpi: [mpich] + variants: +mpi + binutils: + variants: +ld +gold +headers +libiberty ~nls + elfutils: + variants: +bzip2 ~nls +xz + hdf5: + variants: +fortran +hl +shared + libfabric: + require: "@1.18.1 target=ppc64le" + variants: fabrics=sockets,tcp,udp,rxm + libunwind: + variants: +pic +xz + openblas: + variants: threads=openmp + 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 + xz: + variants: +pic + mpi: + require: mpich + mpich: + require: '@4.1.2 ~wrapperrpath ~hwloc target=ppc64le' + buildable: false + externals: + - spec: mpich@4.1.2 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=pmi + prefix: /usr/local/mpich/install/mpich + faodel: + require: "~tcmalloc target=ppc64le" + tbb: + require: intel-tbb + vtk-m: + require: "+examples target=ppc64le" + cuda: + require: "@11.4.4 target=ppc64le" + raja: + variants: +plugins + + + specs: + # CUDA NOARCH + - bricks +cuda + - flux-core +cuda + - hpctoolkit +cuda + - legion +cuda + - papi +cuda + - tau +mpi +cuda + + + # CUDA 70 + - amrex +cuda cuda_arch=70 + - arborx +cuda cuda_arch=70 ^kokkos +wrapper + - axom +cuda cuda_arch=70 + - cabana +cuda cuda_arch=70 ^kokkos +wrapper +cuda_lambda +cuda cuda_arch=70 + - caliper +cuda cuda_arch=70 + - chai tests=none +cuda cuda_arch=70 ^umpire ~shared + - cusz +cuda cuda_arch=70 + - ecp-data-vis-sdk ~rocm +adios2 ~ascent +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=70 + - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=70 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=70 + - flecsi +cuda cuda_arch=70 + - ginkgo +cuda cuda_arch=70 + - gromacs +cuda cuda_arch=70 + - heffte +cuda cuda_arch=70 + - hpx +cuda cuda_arch=70 + - hypre +cuda cuda_arch=70 + - kokkos +wrapper +cuda cuda_arch=70 + - kokkos-kernels +cuda cuda_arch=70 ^kokkos +wrapper +cuda cuda_arch=70 + - lammps +amoeba +asphere +bocs +body +bpm +brownian +cg-dna +cg-spica +class2 +colloid +colvars +compress +coreshell +dielectric +diffraction +dipole +dpd-basic +dpd-meso +dpd-react +dpd-smooth +drude +eff +electrode +extra-compute +extra-dump +extra-fix +extra-molecule +extra-pair +fep +granular +interlayer +kspace +lepton +machdyn +manybody +mc +meam +mesont +misc +ml-iap +ml-pod +ml-snap +mofff +molecule +openmp-package +opt +orient +peri +phonon +plugin +poems +qeq +reaction +reaxff +replica +rigid +shock +sph +spin +srd +tally +uef +voronoi +yaff +cuda cuda_arch=70 + - lbann +cuda cuda_arch=70 + - magma +cuda cuda_arch=70 + - mfem +cuda cuda_arch=70 + - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=70 + - omega-h +cuda cuda_arch=70 + - parsec +cuda cuda_arch=70 + - petsc +cuda cuda_arch=70 + - raja +cuda cuda_arch=70 + - slate +cuda cuda_arch=70 + - slepc +cuda cuda_arch=70 + - strumpack ~slate +cuda cuda_arch=70 + - sundials +cuda cuda_arch=70 + - superlu-dist +cuda cuda_arch=70 + - tasmanian +cuda cuda_arch=70 + - umpire ~shared +cuda cuda_arch=70 + - upcxx +cuda cuda_arch=70 + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=70 + # - paraview +cuda cuda_arch=70 + # - vtk-m +cuda cuda_arch=70 + # - zfp +cuda cuda_arch=70 + # -- + # - ascent +cuda cuda_arch=70 # ascent: https://github.com/spack/spack/issues/38045 + # -- + # - cp2k +mpi +cuda cuda_arch=70 # cp2k: pw/fft/fftw3_lib.F:758: undefined reference to `fftw_plan_with_nthreads' + # - dealii +cuda cuda_arch=70 # fltk: https://github.com/spack/spack/issues/38791 + # - libpressio +bitgrooming +bzip2 +fpzip +hdf5 +libdistributed +lua +openmp +python +sz +sz3 +unix +zfp +json +remote +netcdf +cusz +mgard +cuda cuda_arch=70 ^cusz +cuda cuda_arch=70 # depends_on("cuda@11.7.1:", when="+cuda") + # - trilinos +cuda cuda_arch=70 # trilinos: packages/stokhos/src/CMakeFiles/stokhos.dir/epetra/Stokhos_AdaptivityManager.cpp.o: boost-1.84.0-gfnpmygtdtflkpno55odpiroadby7prl/include/boost/unordered/detail/prime_fmod.hpp(67): error: incomplete type is not allowed