diff --git a/environments/24.11/README.md b/environments/24.11/README.md new file mode 100644 index 0000000..3df7662 --- /dev/null +++ b/environments/24.11/README.md @@ -0,0 +1,113 @@ +# E4S Release 24.05 + +May 2024 release of E4S + +## Files + +* `amd64-gcc-cpu-ubuntu22.04/spack.yaml` -- Model Spack Environment for systems without GPU (amd64) +* `amd64-gcc-cuda-ubuntu22.04/spack.yaml` -- Model Spack Environment for systems with NVIDIA GPUs (amd64) +* `amd64-gcc-rocm-ubuntu22.04/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-ubuntu22.04/spack.yaml` -- Model Spack Environment for systems without GPU (arm64) +* `arm64-gcc-cuda-ubuntu22.04/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 24.05 uses Spack branch `e4s-24.05` +* https://github.com/spack/spack +* Branch [e4s-24.05](https://github.com/spack/spack/tree/e4s-24.05) + + +## Spack Build Cache + +* https://cache.e4s.io/24.05 (not intended for web browser access; for use as a `spack mirror`) + +``` +$> spack mirror add E4S https://cache.e4s.io/24.05 + +$> 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-ubuntu22.04/spack.yaml` + * For `cuda_arch=80` and `cuda_arch=90` + * Built and tested using: + * `Ubuntu 22.04, GCC 11.4.0` + * `ecpe4s/e4s-release-base-cuda-amd64:24.05` + +* 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/e4s-release-base-cuda-ppc64:24.05` + +* Model environment for NVIDIA GPUs on arm64 is: + * `arm64-gcc-cuda-ubuntu22.04/spack.yaml + * For `cuda_arch=75`, `cuda_arch=80`, `cuda_arch=90` + * Built and tested using: + * `Ubuntu 22.04, GCC 11.4.0` + * `ecpe4s/e4s-release-base-cuda-arm64:24.05` + +* Model environment for AMD GPUs on x86_64 is: + * `amd64-gcc-rocm-ubuntu22.04/spack.yaml` + * For `amdgpu_target=gfx908` and `amdgpu_target=gfx90a` + * Built and tested using: + * `Ubuntu 22.04, GCC 11.4.0` + * `ecpe4s/e4s-release-base-rocm-amd64:24.05` + +* 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/e4s-release-base-oneapi-amd64:24.05` + * 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-ubuntu22.04/spack.yaml` with the `cuda_arch=80` specs enabled. + +``` +root@0741a576c1d4:/# spack find -x +-- linux-ubuntu22.04-x86_64 / gcc@11.4.0 ------------------------ +adios@1.13.1 chai@2024.02.0 flit@2.1.0 hpctoolkit@2024.01.1 magma@2.8.0 papi@7.1.0 py-warpx@23.08 tasmanian@8.0 +adios2@2.7.1 charliecloud@0.37 flux-core@0.61.2 hpx@1.9.1 mercury@2.3.1 papyrus@1.0.2 qthreads@1.18 tau@2.33.2 +adios2@2.10.0 conduit@0.9.1 flux-core@0.61.2 hpx@1.9.1 metall@0.25 parallel-netcdf@1.12.3 quantum-espresso@7.3.1 tau@2.33.2 +alquimia@1.1.0 cp2k@2024.1 fortrilinos@2.3.0 hypre@2.31.0 mfem@4.6.0 paraview@5.12.0 raja@2024.02.0 trilinos@13.0.1 +aml@0.2.1 cuda@11.8.0 fpm@0.10.0 hypre@2.31.0 mfem@4.6.0 paraview@5.12.0 raja@2024.02.0 trilinos@15.1.1 +amrex@24.04 cuda@12.2.0 gasnet@2023.9.0 kokkos@4.3.00 mgard@2023-12-09 parsec@3.0.2209 rempi@1.1.0 trilinos@15.1.1 +amrex@24.04 cusz@0.3.1 ginkgo@1.7.0 kokkos@4.3.00 mpark-variant@1.4.0 parsec@3.0.2209 scr@3.0.1 turbine@1.3.0 +arborx@1.6 darshan-runtime@3.4.4 ginkgo@1.7.0 kokkos-kernels@4.3.00 mpich@4.1.2 pdt@3.25.2 slate@2023.11.05 umap@2.1.0 +arborx@1.6 darshan-util@3.4.4 globalarrays@5.8.2 kokkos-kernels@4.3.00 mpifileutils@0.11.1 petsc@3.21.0 slate@2023.11.05 umpire@2024.02.0 +argobots@1.2 datatransferkit@3.1.1 glvis@4.2 laghos@3.1 nccmp@1.9.1.0 petsc@3.21.0 slepc@3.21.0 umpire@2024.02.0 +ascent@0.9.2 dealii@9.5.1 gmp@6.2.1 lammps@20230802.3 nco@5.1.9 phist@1.12.0 slepc@3.21.0 unifyfs@2.0 +axom@0.9.0 dealii@9.5.1 gotcha@1.0.6 lammps@20230802.3 nek5000@19.0 plasma@23.8.2 stc@0.9.0 upcxx@2023.9.0 +axom@0.9.0 dyninst@13.0.0 gptune@4.0.0 lbann@0.104 nekbone@17.0 plumed@2.9.0 strumpack@7.2.0 upcxx@2023.9.0 +bolt@2.0 e4s-alc@1.0.1 gromacs@2024.1 lbann@0.104 netcdf-fortran@4.6.1 precice@3.1.1 strumpack@7.2.0 variorum@0.7.0 +boost@1.79.0 e4s-cl@1.0.3 gromacs@2024.1 legion@24.03.0 netlib-scalapack@2.2.0 pruners-ninja@1.0.1 sundials@7.0.0 veloc@1.7 +bricks@2023.08.25 ecp-data-vis-sdk@1.0 h5bench@1.4 legion@24.03.0 nrm@0.1.0 pumi@2.2.8 sundials@7.0.0 visit@3.3.3 +bricks@2023.08.25 ecp-data-vis-sdk@1.0 hdf5@1.12.3 libcatalyst@2.0.0-rc4 nvhpc@24.3 py-cinemasci@1.3 superlu@5.3.0 vtk-m@2.0.0 +butterflypack@2.4.0 exago@1.6.0 hdf5-vol-async@1.7 libnrm@0.1.0 omega-h@9.34.13 py-deephyper@0.6.0 superlu-dist@8.2.1 vtk-m@2.1.0 +cabana@0.6.0 exago@1.6.0 hdf5-vol-cache@v1.1 libpressio@0.95.1 omega-h@9.34.13 py-h5py@3.11.0 superlu-dist@8.2.1 wannier90@3.1.0 +cabana@0.6.0 exaworks@0.1.0 hdf5-vol-log@1.4.0 libpressio@0.95.1 openfoam@2312 py-jupyterhub@1.4.1 swig@4.0.2-fortran xyce@7.8.0 +caliper@2.10.0 faodel@1.2108.1 heffte@2.4.0 libquo@1.4 openmpi@5.0.3 py-libensemble@1.2.2 sz@2.1.12.5 zfp@0.5.5 +caliper@2.10.0 flecsi@2.2.1 heffte@2.4.0 libunwind@1.6.2 openpmd-api@0.15.2 py-petsc4py@3.21.0 sz3@3.1.7 zfp@0.5.5 +chai@2024.02.0 flecsi@2.2.1 hpctoolkit@2024.01.1 loki@0.1.7 papi@7.1.0 py-torch@2.2.2 tasmanian@8.0 +==> 183 installed packages +``` diff --git a/environments/24.11/amd64-gcc-cpu-ubuntu22.04/spack.yaml b/environments/24.11/amd64-gcc-cpu-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..74afcd4 --- /dev/null +++ b/environments/24.11/amd64-gcc-cpu-ubuntu22.04/spack.yaml @@ -0,0 +1,222 @@ +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: + python: + prefer: + - "@3.10.12" + externals: + - spec: python@3.10.12+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat+pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib + prefix: /usr + 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: '@4.2.3 ~wrapperrpath ~hwloc target=x86_64' + buildable: false + externals: + - spec: mpich@4.2.3 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath~xpmem + build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=default + 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=x86_64 + raja: + variants: +plugins + paraview: + variants: +qt +examples + + specs: + # CPU + - adios + - alquimia + - aml + - amrex + - arborx + - argobots + - axom + - bolt + - boost + - bricks ~cuda + - butterflypack + - cabana + - caliper + - chai tests=none + - chapel ~cuda ~rocm + - 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+examples ^visit +gui ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none + - exago +mpi ~ipopt +hiop ~python +raja ^hiop+raja~sparse + - exaworks + - fftx + - 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 # cannot redistribute + - nwchem + - 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 + - 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 + - wps + - wrf + - xyce +mpi +shared +pymi +pymi_static_tpls + # INCLUDED IN ECP DAV CPU + # - adios2 + # - ascent + # - darshan-runtime + # - darshan-util + # - faodel + # - hdf5 + # - libcatalyst + # - parallel-netcdf + # - paraview +qt +examples ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none + # - py-cinemasci + # - sz + # - unifyfs + # - veloc + # - visit +gui + # - vtk-m + # - zfp + # -- + # -- + # - geopm-runtime # gtkplus-3.24.29: ModuleNotFoundError: No module named 'distutils.msvccompiler' + # - warpx # make: *** No rule to make target 'pip_wheel'. Stop. diff --git a/environments/24.11/amd64-gcc-cuda-ubuntu22.04/spack.yaml b/environments/24.11/amd64-gcc-cuda-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..fb8d73d --- /dev/null +++ b/environments/24.11/amd64-gcc-cuda-ubuntu22.04/spack.yaml @@ -0,0 +1,198 @@ +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: + python: + prefer: + - "@3.10.12" + externals: + - spec: python@3.10.12+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat+pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib + prefix: /usr + 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: '@4.2.3 ~wrapperrpath ~hwloc target=x86_64' + buildable: false + externals: + - spec: mpich@4.2.3 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath~xpmem + build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=default + 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=x86_64 + 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-12.2 + raja: + variants: +plugins + paraview: + variants: +qt +examples + + specs: + # CUDA NOARCH + - bricks +cuda + - flux-core +cuda + - hpctoolkit +cuda + - legion +cuda # legion: needs NVIDIA driver + - papi +cuda + - tau +mpi +cuda +syscall + + # 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 + - chapel +cuda cuda_arch=90 + - cusz +cuda cuda_arch=90 + - ecp-data-vis-sdk ~rocm +adios2 ~ascent +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=90 ^paraview~qt~examples ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none + - 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 + - fftx +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 # lammps: needs NVIDIA driver + - 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 + - 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 # upcxx: needs NVIDIA driver + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=90 + # - paraview ~qt ~examples +cuda cuda_arch=90 ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none + # - vtk-m +cuda cuda_arch=90 + # - zfp +cuda cuda_arch=90 + # -- + # - ascent +cuda cuda_arch=90 # ascent: https://github.com/spack/spack/issues/38045 + # -- + # - cp2k +mpi +cuda cuda_arch=90 # cp2k: libxsmm-1.17-cp2k-gb67ft7e4cllijn3jfozuvab7nvzazr2/spack-src/./src/libxsmm_gemm.c:288: undefined reference to `sgemv_' + # - dealii +cuda cuda_arch=90 # dealii: conflicts with '+cuda ^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 + # - py-torch +cuda cuda_arch=90 # builds ok but installed outside of spack + + # 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 + - chapel +cuda cuda_arch=80 + - 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 ^paraview~qt~examples ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none + - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=80 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=80 + - fftx +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 # lammps: needs NVIDIA driver + - 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 + - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=80 + - 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 # upcxx: needs NVIDIA driver + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=80 + # - paraview ~qt ~examples +cuda cuda_arch=80 ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none + # - 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: libxsmm-1.17-cp2k-gb67ft7e4cllijn3jfozuvab7nvzazr2/spack-src/./src/libxsmm_gemm.c:235: undefined reference to `dgemm_' + # - lbann +cuda cuda_arch=80 ^cuda@11.8.0 # layers/transform/cereal_registration/permute.cpp.o: layers/transform/cereal_registration/../permute/cutensor_support.hpp:95:18: error: 'cutensorInit' was not declared in this scope; did you mean 'cutensorPlan_t' + # - 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)' + # - omega-h +cuda cuda_arch=80 # Omega_h_reduce.hpp(84): error: namespace "thrust" has no member "device" + # - py-torch +cuda cuda_arch=80 # builds ok but installed outside of spack + diff --git a/environments/24.11/amd64-gcc-rocm-ubuntu22.04/spack.yaml b/environments/24.11/amd64-gcc-rocm-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..625db11 --- /dev/null +++ b/environments/24.11/amd64-gcc-rocm-ubuntu22.04/spack.yaml @@ -0,0 +1,389 @@ +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: + python: + prefer: + - "@3.10.12" + externals: + - spec: python@3.10.12+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat+pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib + prefix: /usr + 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: '@4.2.3 ~wrapperrpath ~hwloc target=x86_64' + buildable: false + externals: + - spec: mpich@4.2.3 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath~xpmem + build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=default + 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=x86_64 + raja: + variants: +plugins + paraview: + variants: +qt +examples + # ROCm + comgr: + buildable: false + externals: + - spec: comgr@6.2.1 + prefix: /opt/rocm-6.2.1/ + hip-rocclr: + buildable: false + externals: + - spec: hip-rocclr@6.2.1 + prefix: /opt/rocm-6.2.1/hip + hipblas: + buildable: false + externals: + - spec: hipblas@6.2.1 + prefix: /opt/rocm-6.2.1/ + hipcub: + buildable: false + externals: + - spec: hipcub@6.2.1 + prefix: /opt/rocm-6.2.1/ + hipfft: + buildable: false + externals: + - spec: hipfft@6.2.1 + prefix: /opt/rocm-6.2.1/ + hiprand: + buildable: false + externals: + - spec: hiprand@6.2.1 + prefix: /opt/rocm-6.2.1/ + hipsparse: + buildable: false + externals: + - spec: hipsparse@6.2.1 + prefix: /opt/rocm-6.2.1/ + miopen-hip: + buildable: false + externals: + - spec: miopen-hip@6.2.1 + prefix: /opt/rocm-6.2.1/ + miopengemm: + buildable: false + externals: + - spec: miopengemm@6.2.1 + prefix: /opt/rocm-6.2.1/ + rccl: + buildable: false + externals: + - spec: rccl@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocblas: + buildable: false + externals: + - spec: rocblas@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocfft: + buildable: false + externals: + - spec: rocfft@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocm-clang-ocl: + buildable: false + externals: + - spec: rocm-clang-ocl@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocm-cmake: + buildable: false + externals: + - spec: rocm-cmake@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocm-dbgapi: + buildable: false + externals: + - spec: rocm-dbgapi@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocm-debug-agent: + buildable: false + externals: + - spec: rocm-debug-agent@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocm-device-libs: + buildable: false + externals: + - spec: rocm-device-libs@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocm-gdb: + buildable: false + externals: + - spec: rocm-gdb@6.2.1 + prefix: /opt/rocm-6.2.1/ + rocm-opencl: + buildable: false + externals: + - spec: rocm-opencl@6.2.1 + prefix: /opt/rocm-6.2.1/opencl + rocm-smi-lib: + buildable: false + externals: + - spec: rocm-smi-lib@6.2.1 + prefix: /opt/rocm-6.2.1/ + hip: + buildable: false + externals: + - spec: hip@6.2.1 + prefix: /opt/rocm-6.2.1 + extra_attributes: + compilers: + c: /opt/rocm-6.2.1/llvm/bin/clang++ + c++: /opt/rocm-6.2.1/llvm/bin/clang++ + hip: /opt/rocm-6.2.1/hip/bin/hipcc + hipify-clang: + buildable: false + externals: + - spec: hipify-clang@6.2.1 + prefix: /opt/rocm-6.2.1 + llvm-amdgpu: + buildable: false + externals: + - spec: llvm-amdgpu@6.2.1 + prefix: /opt/rocm-6.2.1/llvm + extra_attributes: + compilers: + c: /opt/rocm-6.2.1/llvm/bin/clang++ + cxx: /opt/rocm-6.2.1/llvm/bin/clang++ + hsakmt-roct: + buildable: false + externals: + - spec: hsakmt-roct@6.2.1 + prefix: /opt/rocm-6.2.1/ + hsa-rocr-dev: + buildable: false + externals: + - spec: hsa-rocr-dev@6.2.1 + prefix: /opt/rocm-6.2.1/ + extra_atributes: + compilers: + c: /opt/rocm-6.2.1/llvm/bin/clang++ + cxx: /opt/rocm-6.2.1/llvm/bin/clang++ + roctracer-dev-api: + buildable: false + externals: + - spec: roctracer-dev-api@6.2.1 + prefix: /opt/rocm-6.2.1 + roctracer-dev: + buildable: false + externals: + - spec: roctracer-dev@4.5.3 + prefix: /opt/rocm-6.2.1 + rocprim: + buildable: false + externals: + - spec: rocprim@6.2.1 + prefix: /opt/rocm-6.2.1 + rocrand: + buildable: false + externals: + - spec: rocrand@6.2.1 + prefix: /opt/rocm-6.2.1 + hipsolver: + buildable: false + externals: + - spec: hipsolver@6.2.1 + prefix: /opt/rocm-6.2.1 + rocsolver: + buildable: false + externals: + - spec: rocsolver@6.2.1 + prefix: /opt/rocm-6.2.1 + rocsparse: + buildable: false + externals: + - spec: rocsparse@6.2.1 + prefix: /opt/rocm-6.2.1 + rocthrust: + buildable: false + externals: + - spec: rocthrust@6.2.1 + prefix: /opt/rocm-6.2.1 + rocprofiler-dev: + buildable: false + externals: + - spec: rocprofiler-dev@6.2.1 + prefix: /opt/rocm-6.2.1 + rocm-core: + buildable: false + externals: + - spec: rocm-core@6.2.1 + prefix: /opt/rocm-6.2.1 + + specs: + # ROCM NOARCH + - hpctoolkit +rocm + - tau +mpi +rocm +syscall +rocprofiler # tau: has issue with `spack env depfile` build + + # ROCM 942 + - amrex +rocm amdgpu_target=gfx942 + - arborx +rocm amdgpu_target=gfx942 + - cabana +rocm amdgpu_target=gfx942 ^kokkos +rocm amdgpu_target=gfx942 + - caliper +rocm amdgpu_target=gfx942 + - chai tests=none +rocm amdgpu_target=gfx942 + - fftx +rocm amdgpu_target=gfx942 + - gasnet +rocm amdgpu_target=gfx942 + - ginkgo +rocm amdgpu_target=gfx942 + - heffte +rocm amdgpu_target=gfx942 + - hpx +rocm amdgpu_target=gfx942 + - hypre +rocm amdgpu_target=gfx942 + - kokkos +rocm amdgpu_target=gfx942 + - legion +rocm amdgpu_target=gfx942 + - magma ~cuda +rocm amdgpu_target=gfx942 + - mfem +rocm amdgpu_target=gfx942 + - petsc +rocm amdgpu_target=gfx942 + - raja ~openmp +rocm amdgpu_target=gfx942 + - slate +rocm amdgpu_target=gfx942 + - slepc +rocm amdgpu_target=gfx942 ^petsc +rocm amdgpu_target=gfx942 + - strumpack ~slate +rocm amdgpu_target=gfx942 + - sundials +rocm amdgpu_target=gfx942 + - superlu-dist +rocm amdgpu_target=gfx942 + - tasmanian ~openmp +rocm amdgpu_target=gfx942 + - 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=gfx942 + - umpire +rocm amdgpu_target=gfx942 + - upcxx +rocm amdgpu_target=gfx942 + # INCLUDED IN ECP DAV ROCM + - vtk-m ~openmp +rocm amdgpu_target=gfx942 + # -- + # - paraview ~examples ~qt +rocm amdgpu_target=gfx942 ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none # kokkos-3.7.01: CMake Error at cmake/kokkos_arch.cmake:582 (MESSAGE): HIP enabled but no AMD GPU architecture currently enabled. Please enable one AMD GPU architecture via -DKokkos_ARCH_{..}=ON'. + # -- + # - chapel +rocm amdgpu_target=gfx942 # lld: error: undefined symbol: llvm.amdgcn.readfirstlane.i32 + # - cp2k +mpi +rocm amdgpu_target=gfx942 # cp2k: make[4]: D__HIP: No such file or directory + # - ecp-data-vis-sdk +paraview +vtkm +rocm amdgpu_target=gfx942 ^paraview~qt~examples ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none # kokkos-3.7.01: CMake Error at cmake/kokkos_arch.cmake:582 (MESSAGE): HIP enabled but no AMD GPU architecture currently enabled. Please enable one AMD GPU architecture via -DKokkos_ARCH_{..}=ON'. + # - exago +mpi +python +raja +hiop +rocm amdgpu_target=gfx942 ~ipopt cxxflags="-Wno-error=non-pod-varargs" ^hiop@1.0.0 ~sparse +mpi +raja +rocm amdgpu_target=gfx942 # hiop-1.0.0: hiopVectorHip.hpp:68:10: fatal error: 'hipblas.h' file not found + # - lbann ~cuda +rocm amdgpu_target=gfx942 # aluminum-1.4.1: Could not find a configuration file for package "hip" that is compatible with requested version "5.0". + # - papi +rocm amdgpu_target=gfx942 # rocm-openmp-extras-6.2.1: Error: FileExistsError: [Errno 17] File exists: + + # 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 ^paraview~qt~examples ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none + - fftx +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 + # - paraview ~examples ~qt +rocm amdgpu_target=gfx90a ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none # builds ok, installed w/ ecp-dav + # - vtk-m ~openmp +rocm amdgpu_target=gfx90a # builds ok, installed w/ ecp-dav + # -- + # -- + # - chapel +rocm amdgpu_target=gfx90a # lld: error: undefined symbol: llvm.amdgcn.readfirstlane.i32 + # - cp2k +mpi +rocm amdgpu_target=gfx90a # cp2k: make[4]: D__HIP: No such file or directory + # - 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 # hiop-1.0.0: hiopVectorHip.hpp:68:10: fatal error: 'hipblas.h' file not found + # - lbann ~cuda +rocm amdgpu_target=gfx90a # aluminum-1.4.1: Could not find a configuration file for package "hip" that is compatible with requested version "5.0". + # - papi +rocm amdgpu_target=gfx90a # rocm-openmp-extras-6.2.1: Error: FileExistsError: [Errno 17] File exists: + + # 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 ^paraview~qt~examples ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none + - fftx +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 + # - paraview ~examples ~qt +rocm amdgpu_target=gfx908 ^llvm~lldb~lld~libomptarget~polly~gold libunwind=none compiler-rt=none # builds ok, installed w/ ecp-dav + # - vtk-m ~openmp +rocm amdgpu_target=gfx908 # builds ok, installed w/ ecp-dav + # -- + # -- + # - chapel +rocm amdgpu_target=gfx908 # lld: error: undefined symbol: llvm.amdgcn.readfirstlane.i32 + # - cp2k +mpi +rocm amdgpu_target=gfx908 # cp2k: make[4]: D__HIP: No such file or directory + # - 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 # hiop-1.0.0: hiopVectorHip.hpp:68:10: fatal error: 'hipblas.h' file not found + # - lbann ~cuda +rocm amdgpu_target=gfx908 # aluminum-1.4.1: Could not find a configuration file for package "hip" that is compatible with requested version "5.0". + # - papi +rocm amdgpu_target=gfx908 # rocm-openmp-extras-6.2.1: Error: FileExistsError: [Errno 17] File exists: + diff --git a/environments/24.11/amd64-oneapi-ubuntu22.04/spack.yaml b/environments/24.11/amd64-oneapi-ubuntu22.04/spack.yaml new file mode 100644 index 0000000..f7bf669 --- /dev/null +++ b/environments/24.11/amd64-oneapi-ubuntu22.04/spack.yaml @@ -0,0 +1,140 @@ +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@=2024.2.1 + paths: + cc: /opt/intel/oneapi/compiler/2024.2/bin/icx + cxx: /opt/intel/oneapi/compiler/2024.2/bin/icpx + f77: /opt/intel/oneapi/compiler/2024.2/bin/ifx + fc: /opt/intel/oneapi/compiler/2024.2/bin/ifx + flags: {} + operating_system: ubuntu22.04 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] + + packages: + python: + prefer: + - "@3.10.12" + externals: + - spec: python@3.10.12+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat+pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib + prefix: /usr + 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@2021.13.1 + 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 + paraview: + variants: +qt +examples + intel-oneapi-mkl: + buildable: false + externals: + - spec: intel-oneapi-mkl@2024.2.1 + prefix: /opt/intel/oneapi + modules: [mkl/2024.2] + intel-oneapi-dpl: + buildable: false + externals: + - spec: intel-oneapi-dpl@2022.6.0 + prefix: /opt/intel/oneapi + modules: [dpl/2022.6] + intel-oneapi-tbb: + buildable: false + externals: + - spec: intel-oneapi-tbb@2021.13.1 + prefix: /opt/intel/oneapi + modules: [] + + specs: + # 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 + - 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 # configure: error: unable to find oneMKL ... Ensure that MKLROOT is set + # - slate +sycl # ifx: error #10426: option '-fopenmp-targets' requires '-fiopenmp' diff --git a/environments/24.11/arm64-gcc-cpu-ubuntu24.04/spack.yaml b/environments/24.11/arm64-gcc-cpu-ubuntu24.04/spack.yaml new file mode 100644 index 0000000..a1a5bcf --- /dev/null +++ b/environments/24.11/arm64-gcc-cpu-ubuntu24.04/spack.yaml @@ -0,0 +1,230 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + packages: + all: + target: [aarch64] + require: '%gcc@13.2.0 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: '@4.2.3 ~wrapperrpath ~hwloc target=aarch64' + buildable: false + externals: + - spec: mpich@4.2.3 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath~xpmem + build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=default + 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: '@12.6.2 target=aarch64' + externals: + - spec: cuda@12.6.2 + prefix: /usr/local/cuda-12.6 + raja: + variants: +plugins + paraview: + variants: +qt +examples + python: + prefer: + - "@3.10.15" + externals: + - spec: python@3.10.15+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat+pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib + prefix: /py3.10 + + specs: + # CPU + - adios + - alquimia + - aml + - amrex + - arborx + - argobots + - axom + - boost + - butterflypack + - cabana + - caliper + - chai tests=none + - chapel ~cuda ~rocm + - charliecloud + - conduit + - datatransferkit + - dealii + - dyninst + - exago +mpi ~ipopt +hiop ~python +raja ^hiop+raja~sparse + - exaworks + - fftx + - flecsi + - flit + - flux-core + - fpm + - e4s-cl + - e4s-alc + - netcdf-fortran + - 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 + - netlib-scalapack + - nrm + # - nvhpc # cannot redistribute + - nwchem + - 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 + - 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 + - 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 + - warpx +python + - wps + - wrf + - xyce +mpi +shared +pymi +pymi_static_tpls + # INCLUDED IN ECP DAV CPU + - adios2 + - ascent # ecp dav + - darshan-runtime + - darshan-util + - faodel + - hdf5 + - libcatalyst + - parallel-netcdf + - paraview + - py-cinemasci + - sz + - veloc + - vtk-m + - zfp + # -- + # - unifyfs # examples/src/testutil.c:20:12: error: static declaration of 'asprintf' follows non-static declaration + # - visit # qt-5.14.2: g++: error: unrecognized command-line option '-mrdrnd' + # -- + # - bolt # nvcc fatal : Unsupported gpu architecture 'compute_35' + # - bricks ~cuda # VSBrick-cond.py-SVE512-8x8x8-8:639:21: error: expected ';' before '_cg_vectmp0' + # - cp2k +mpi # libint-2.9.0: make[2]: *** [CMakeFiles/libint_f.dir/build.make:114: CMakeFiles/libint_f.dir/depend] Error 137 + # - ecp-data-vis-sdk ~cuda ~rocm +adios2 +ascent +cinema +darshan +faodel +hdf5 +paraview +pnetcdf +sz +unifyfs +veloc +visit +vtkm +zfp ^paraview+qt ^visit ~gui # unifyfs-2.0: examples/src/testutil.c:20:12: error: static declaration of 'asprintf' follows non-static declaration; adios2-2.7.1: thirdparty/pybind11/pybind11/include/pybind11/attr.h:199:10: error: 'uint16_t' in namespace 'std' does not name a type; did you mean 'wint_t'? + # - fortrilinos # trilinos-14.0.0: teuchos/core/src/Teuchos_BigUIntDecl.hpp:67:8: error: 'uint32_t' in namespace 'std' does not name a type; did you mean 'wint_t'? + # - geopm-runtime # gtkplus-3.24.29: ModuleNotFoundError: No module named 'distutils.msvccompiler' + # - 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 # teuchos/core/src/Teuchos_BigUIntDecl.hpp:67:8: error: 'uint32_t' in namespace 'std' does not name a type; did you mean 'wint_t'? + # - variorum # https://github.com/spack/spack/issues/38786 + + + compilers: + - compiler: + spec: gcc@=13.2.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu24.04 + target: aarch64 + modules: [] + environment: + set: + NVCC_APPEND_FLAGS: -allow-unsupported-compiler + extra_rpaths: [] diff --git a/environments/24.11/arm64-gcc-cuda-ubuntu24.04/spack.yaml b/environments/24.11/arm64-gcc-cuda-ubuntu24.04/spack.yaml new file mode 100644 index 0000000..98709d7 --- /dev/null +++ b/environments/24.11/arm64-gcc-cuda-ubuntu24.04/spack.yaml @@ -0,0 +1,244 @@ +spack: + view: false + + concretizer: + reuse: false + unify: false + + packages: + all: + target: [aarch64] + require: '%gcc@13.2.0 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: '@4.2.3 ~wrapperrpath ~hwloc target=aarch64' + buildable: false + externals: + - spec: mpich@4.2.3 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath~xpmem + build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=default + 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: '@12.6.2 target=aarch64' + externals: + - spec: cuda@12.6.2 + prefix: /usr/local/cuda-12.6 + raja: + variants: +plugins + paraview: + variants: +qt +examples + python: + prefer: + - "@3.10.15" + externals: + - spec: python@3.10.15+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat+pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib + prefix: /py3.10 + + compilers: + - compiler: + spec: gcc@=13.2.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: ubuntu24.04 + target: aarch64 + modules: [] + environment: + set: + NVCC_APPEND_FLAGS: -allow-unsupported-compiler + extra_rpaths: [] + + specs: + # CUDA NOARCH + - flux-core +cuda + - hpctoolkit +cuda + - legion +cuda # legion: needs NVIDIA driver + - tau +mpi +cuda +syscall + # -- + # - bricks +cuda # VSBrick-cond.py-SVE512-8x8x8-8:622:11: error: 'svst1_u32' was not declared in this scope; did you mean 'vst1_u32'? + # - papi +cuda # /usr/local/cuda-12.6/extras/CUPTI/include/cupti_activity.h:1890:23: error: expected ';' before 'typedef' + + # 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 + - fftx +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 + - 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 + - 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 + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=90 # builds ok, in ecp dav + # - vtk-m +cuda cuda_arch=90 target=aarch64 # builds ok, in ecp dav + # - zfp +cuda cuda_arch=90 # builds ok, in ecp dav + # -- + # - paraview +cuda cuda_arch=90 # VTK/ThirdParty/vtkm/vtkvtkm/vtk-m/vtkm/exec/cuda/internal/WrappedOperators.h(198): error: namespace "thrust::THRUST_200500_900_NS::detail" has no member class "is_arithmetic" + # -- + # - ascent +cuda cuda_arch=90 # https://github.com/spack/spack/issues/38045 + # - chapel +cuda cuda_arch=90 # /usr/include/aarch64-linux-gnu/bits/math-vector.h:106:9: error: unknown type name '__SVFloat32_t' + # - cp2k +mpi +cuda cuda_arch=90 # libint-2.9.0: make[2]: *** [CMakeFiles/libint_f.dir/build.make:114: CMakeFiles/libint_f.dir/depend] Error 137 + # - 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 + # - 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 # lammps: needs NVIDIA driver + # - lbann +cuda cuda_arch=90 # dihydrogen-0.3.0: include/hydrogen/device/gpu/CUB.hpp:41:5: error: reference to 'CachingDeviceAllocator' is ambiguous + # - magma@2.8.0 +cuda cuda_arch=90 # magma: '^cuda@12.6:' conflicts with '@:2.8.0' + # - omega-h +cuda cuda_arch=90 # https://github.com/spack/spack/issues/39535 + # - upcxx +cuda cuda_arch=90 # upcxx: needs NVIDIA driver + + # 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 + - fftx +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 + - mfem +cuda cuda_arch=80 + - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=80 + - 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 + # INCLUDED IN ECP DAV CUDA + - adios2 +cuda cuda_arch=80 + - vtk-m +cuda cuda_arch=80 + - zfp +cuda cuda_arch=80 + # -- + # - paraview +cuda cuda_arch=80 # VTK/ThirdParty/vtkm/vtkvtkm/vtk-m/vtkm/exec/cuda/internal/WrappedOperators.h(198): error: namespace "thrust::THRUST_200500_800_NS::detail" has no member class "is_arithmetic" + # -- + # - ascent +cuda cuda_arch=80 # https://github.com/spack/spack/issues/38045 + # - chapel +cuda cuda_arch=80 # /usr/include/aarch64-linux-gnu/bits/math-vector.h:106:9: error: unknown type name '__SVFloat32_t' + # - cp2k +mpi +cuda cuda_arch=80 # libint-2.9.0: make[2]: *** [CMakeFiles/libint_f.dir/build.make:114: CMakeFiles/libint_f.dir/depend] Error 137 + # - dealii +cuda cuda_arch=80 # ^cuda@11.8.0; trilinos@13.4.1: /usr/include/aarch64-linux-gnu/bits/mathcalls.h(107): error: identifier "_Float32" is undefined + # - ecp-data-vis-sdk +adios2 +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=80 # +paraview: paraview: VTK/ThirdParty/vtkm/vtkvtkm/vtk-m/vtkm/exec/cuda/internal/WrappedOperators.h(198): error: namespace "thrust::THRUST_200500_800_NS::detail" has no member class "is_arithmetic" + # - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=80 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=80 # ^cuda@11.8.0; magma@2.8.0: /usr/include/aarch64-linux-gnu/bits/mathcalls.h(107): error: identifier "_Float32" is undefined + # - 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 # lammps: needs NVIDIA driver + # - lbann +cuda cuda_arch=80 # dihydrogen-0.3.0: include/hydrogen/device/gpu/CUB.hpp:41:5: error: reference to 'CachingDeviceAllocator' is ambiguous + # - 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 + # - magma@2.8.0 +cuda cuda_arch=80 # magma: '^cuda@12.6:' conflicts with '@:2.8.0' + # - omega-h +cuda cuda_arch=80 # https://github.com/spack/spack/issues/39535 + # - upcxx +cuda cuda_arch=80 # upcxx: needs NVIDIA driver + + # 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 + - fftx +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 + - mfem +cuda cuda_arch=75 + - mgard +serial +openmp +timing +unstructured +cuda cuda_arch=75 + - 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 + # INCLUDED IN ECP DAV CUDA + - adios2 +cuda cuda_arch=75 + - vtk-m +cuda cuda_arch=75 + - zfp +cuda cuda_arch=75 + # -- + # - paraview +cuda cuda_arch=75 # VTK/ThirdParty/vtkm/vtkvtkm/vtk-m/vtkm/exec/cuda/internal/WrappedOperators.h(198): error: namespace "thrust::THRUST_200500_750_NS::detail" has no member class "is_arithmetic" + # -- + # - ascent +cuda cuda_arch=75 # https://github.com/spack/spack/issues/38045 + # - chapel +cuda cuda_arch=75 # /usr/include/aarch64-linux-gnu/bits/math-vector.h:106:9: error: unknown type name '__SVFloat32_t' + # - 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') + # - dealii +cuda cuda_arch=75 # ^cuda@11.8.0; trilinos@13.4.1: /usr/include/aarch64-linux-gnu/bits/mathcalls.h(107): error: identifier "_Float32" is undefined + # - ecp-data-vis-sdk +adios2 +hdf5 +vtkm +zfp +paraview +cuda cuda_arch=75 # +paraview: paraview: VTK/ThirdParty/vtkm/vtkvtkm/vtk-m/vtkm/exec/cuda/internal/WrappedOperators.h(198): error: namespace "thrust::THRUST_200500_750_NS::detail" has no member class "is_arithmetic" + # - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=75 ~ipopt ^hiop ~sparse +mpi +raja ~rocm +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 # lammps: needs NVIDIA driver + # - lbann +cuda cuda_arch=75 # dihydrogen-0.3.0: include/hydrogen/device/gpu/CUB.hpp:41:5: error: reference to 'CachingDeviceAllocator' is ambiguous + # - 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 + # - magma@2.8.0 +cuda cuda_arch=75 # magma: '^cuda@12.6:' conflicts with '@:2.8.0' + # - omega-h +cuda cuda_arch=75 # https://github.com/spack/spack/issues/39535 + # - upcxx +cuda cuda_arch=75 # upcxx: needs NVIDIA driver diff --git a/environments/24.11/ppc64-gcc-cpu-ubuntu20.04/spack.yaml b/environments/24.11/ppc64-gcc-cpu-ubuntu20.04/spack.yaml new file mode 100644 index 0000000..c43c29a --- /dev/null +++ b/environments/24.11/ppc64-gcc-cpu-ubuntu20.04/spack.yaml @@ -0,0 +1,219 @@ +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: '@1.22.0 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: '@4.2.3 ~wrapperrpath ~hwloc target=ppc64le' + buildable: false + externals: + - spec: mpich@4.2.3 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath~xpmem + build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=default + 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 + paraview: + variants: +qt +examples + python: + prefer: + - '@3.10.14' + + specs: + # CPU + - adios + - alquimia + - aml + - amrex + - arborx + - argobots + - axom + - bolt + - boost + - bricks + - butterflypack + - cabana + - caliper + - chai tests=none + - chapel ~cuda ~rocm + - 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 + - exago +mpi ~ipopt +hiop ~python +raja ^hiop+raja~sparse + - exaworks + - fftx + - flecsi + - flit + - flux-core + - fortrilinos + - fpm + - gasnet + - geopm-runtime + - 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 # builds ok, cannot redistribute + - nwchem + - 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 + - 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 # +syscall fails: https://github.com/spack/spack/pull/40830#issuecomment-1790799772; + - 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 + - warpx +python + - wps + - wrf + - 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 + # - visit +gui + # - vtk-m + # - zfp + # -- + # - dealii # boost/math/tools/promotion.hpp:134:27: error: static assertion failed: Sorry, but this platform does not have sufficient long double support for the special functions to be reliably implemented. + # - phist +mpi # src/tools/phist_gen_d.h:42:20: error: conflicting declaration of C function 'void phist_Dmvec_create(phist_Dmvec**, phist_const_map_ptr, phist_lidx, int*)' + # - variorum # https://github.com/spack/spack/issues/38786 diff --git a/environments/24.11/ppc64-gcc-cuda-ubuntu20.04/spack.yaml b/environments/24.11/ppc64-gcc-cuda-ubuntu20.04/spack.yaml new file mode 100644 index 0000000..0512457 --- /dev/null +++ b/environments/24.11/ppc64-gcc-cuda-ubuntu20.04/spack.yaml @@ -0,0 +1,133 @@ +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: '@1.22.0 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: '@4.2.3 ~wrapperrpath ~hwloc target=ppc64le' + buildable: false + externals: + - spec: mpich@4.2.3 ~argobots~cuda+fortran~hwloc+hydra+libxml2+pci~rocm+romio~slurm~vci~verbs~wrapperrpath~xpmem + build_system=autotools datatype-engine=auto device=ch4 netmod=ofi pmi=default + 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 + paraview: + variants: +qt +examples + python: + prefer: + - '@3.10.14' + + specs: + # CUDA NOARCH + - bricks +cuda + - flux-core +cuda + - hpctoolkit +cuda + - papi +cuda + - tau +mpi +cuda # +syscall fails: https://github.com/spack/spack/pull/40830#issuecomment-1790799772; + - legion +cuda # legion: needs NVIDIA driver + + # 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 # +ascent: 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 option BUILD_SHARED_LIBS to `OFF` or (better) turn VTKm_NO_DEPRECATED_VIRTUAL to `ON`. + - exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=70 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=70 + - fftx +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 # lammps: needs NVIDIA driver + - 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 # upcxx: needs NVIDIA driver + # INCLUDED IN ECP DAV CUDA + # - adios2 +cuda cuda_arch=70 # builds ok, included in ecp-dav + # - paraview +cuda cuda_arch=70 # builds ok, included in ecp-dav + # - vtk-m +cuda cuda_arch=70 # builds ok, included in ecp-dav + # - zfp +cuda cuda_arch=70 # builds ok, included in ecp-dav + # -- + # - ascent +cuda cuda_arch=70 # https://github.com/spack/spack/issues/38045 + # -- + # - chapel +cuda cuda_arch=70 # radix_rank_sort_operations.cuh:124:20: error: explicit qualification required to use member 'ProcessFloatMinusZero' from dependent base class + # - cp2k +mpi +cuda cuda_arch=70 # KeyError: 'Point environment variable LIBSMM_PATH to the absolute path of the libsmm.a file' + # - dealii +cuda cuda_arch=70 # boost/math/tools/promotion.hpp:134:27: error: static assertion failed: Sorry, but this platform does not have sufficient long double support for the special functions to be reliably implemented. + # - lbann +cuda cuda_arch=70 # FAILED: CMakeFiles/lbann.dir/src/layers/transform/cereal_registration/permute.cpp.o: layers/transform/cereal_registration/../permute/cutensor_support.hpp:95:18: error: 'cutensorInit' was not declared in this scope; did you mean 'cutensorPlan_t'? + # - 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 # include/boost/unordered/detail/prime_fmod.hpp(67): error: incomplete type is not allowed