diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index d11a062a4..e22e4ccaa 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -29,7 +29,7 @@ jobs: fetch-depth: 0 # For pull requests it's not necessary to checkout the code - - uses: dorny/paths-filter@0bc4621a3135347011ad047f9ecf449bf72ce2bd + - uses: dorny/paths-filter@ebc4d7e9ebcb0b1eb21480bb8f43113e996ac77a id: filter with: filters: | diff --git a/.github/workflows/docs.yml b/.github/workflows/docs.yml index 398e8e7f1..d0fb445f2 100644 --- a/.github/workflows/docs.yml +++ b/.github/workflows/docs.yml @@ -33,7 +33,7 @@ jobs: codespell - name: Upload artifact - uses: actions/upload-pages-artifact@0252fc4ba7626f0298f0cf00902a25c6afc77fa8 + uses: actions/upload-pages-artifact@56afc609e74202658d3ffba0e8f6dda462b719fa if: github.ref == 'refs/heads/develop' with: path: ./_build @@ -54,4 +54,4 @@ jobs: steps: - name: Deploy to GitHub Pages id: deployment - uses: actions/deploy-pages@87c3283f01cd6fe19a0ab93a23b2f6fcba5a8e42 + uses: actions/deploy-pages@decdde0ac072f6dcbe43649d82d9c635fff5b4e4 diff --git a/.github/workflows/requirements/style.txt b/.github/workflows/requirements/style.txt index ba560a253..8d5934c31 100644 --- a/.github/workflows/requirements/style.txt +++ b/.github/workflows/requirements/style.txt @@ -1,4 +1,4 @@ -black==24.1.1 +black==24.2.0 flake8==7.0.0 isort==5.13.2 codespell==2.2.6 diff --git a/.github/workflows/run.yml b/.github/workflows/run.yml index f56634517..acda18e73 100644 --- a/.github/workflows/run.yml +++ b/.github/workflows/run.yml @@ -70,7 +70,7 @@ jobs: - name: Upload Workspace Archive as CI Artifact if: always() - uses: actions/upload-artifact@26f96dfa697d77e81fd5907df203aa23a56210a8 + uses: actions/upload-artifact@5d5d22a31266ced268874388b861e4b58bb5c2f3 with: name: workspace-archive path: './workspace/saxpy/openmp/nosite-x86_64/workspace/archive/**' diff --git a/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/auxiliary_software_files/compilers.yaml b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/auxiliary_software_files/compilers.yaml new file mode 100644 index 000000000..d009ca708 --- /dev/null +++ b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/auxiliary_software_files/compilers.yaml @@ -0,0 +1,19 @@ +# Copyright 2023 Lawrence Livermore National Security, LLC and other +# Benchpark Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: Apache-2.0 + +compilers: +- compiler: + spec: gcc@=11.2.1 + paths: + cc: /usr/tce/packages/gcc/gcc-11.2.1/bin/gcc + cxx: /usr/tce/packages/gcc/gcc-11.2.1/bin/g++ + f77: /usr/tce/packages/gcc/gcc-11.2.1/bin/gfortran + fc: /usr/tce/packages/gcc/gcc-11.2.1/bin/gfortran + flags: {} + operating_system: rhel8 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] diff --git a/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/auxiliary_software_files/packages.yaml b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/auxiliary_software_files/packages.yaml new file mode 100644 index 000000000..eea394721 --- /dev/null +++ b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/auxiliary_software_files/packages.yaml @@ -0,0 +1,64 @@ +# Copyright 2023 Lawrence Livermore National Security, LLC and other +# Benchpark Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: Apache-2.0 + +packages: + tar: + externals: + - spec: tar@1.30 + prefix: /usr + buildable: false + cmake: + externals: + - spec: cmake@3.23.1 + prefix: /usr/tce/packages/cmake/cmake-3.23.1 + buildable: false + gmake: + externals: + - spec: gmake@4.2.1 + prefix: /usr/tcetmp/packages/gmake/gmake-4.2.1 + buildable: false + automake: + externals: + - spec: automake@1.16.1 + prefix: /usr + autoconf: + externals: + - spec: autoconf@2.69 + prefix: /usr + mpi: + buildable: false + mvapich2: + buildable: false + externals: + - spec: mvapich2@2.3.7%intel@2021.6.0 + prefix: /usr/tce/packages/mvapich2/mvapich2-2.3.7-intel-classic-2021.6.0/ + cuda: + buildable: false + externals: + - spec: cuda@11.8.0 + prefix: /usr/tce/packages/cuda/cuda-11.8.0/ + curand: + externals: + - spec: curand@11.8.0 + prefix: /usr/tce/packages/cuda/cuda-11.8.0 + buildable: false + cusparse: + externals: + - spec: cusparse@11.8.0 + prefix: /usr/tce/packages/cuda/cuda-11.8.0 + buildable: false + cublas: + externals: + - spec: cublas@11.8.0 + prefix: /usr/tce/packages/cuda/cuda-11.8.0 + buildable: false + blas: + buildable: false + lapack: + buildable: false + intel-oneapi-mkl: + externals: + - spec: intel-oneapi-mkl@2022.1.0 + prefix: /usr/tce/packages/mkl/mkl-2022.1.0/ diff --git a/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/spack.yaml b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/spack.yaml new file mode 100644 index 000000000..0a1d794df --- /dev/null +++ b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/spack.yaml @@ -0,0 +1,17 @@ +# Copyright 2023 Lawrence Livermore National Security, LLC and other +# Benchpark Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: Apache-2.0 + +spack: + packages: + default-compiler: + spack_spec: gcc@=11.2.1 + default-mpi: + spack_spec: mvapich2@2.3.7 + compiler-gcc: + spack_spec: gcc@=11.2.1 + cublas-cuda: + spack_spec: cublas@{default_cuda_version} + lapack: + spack_spec: intel-oneapi-mkl@2022.1.0 diff --git a/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/system_definition.yaml b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/system_definition.yaml new file mode 100644 index 000000000..01d1688fe --- /dev/null +++ b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/system_definition.yaml @@ -0,0 +1,32 @@ +# Copyright 2023 Lawrence Livermore National Security, LLC and other +# Benchpark Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: Apache-2.0 + +system_definition: + name: Pascal + site: LLNL + system: Penguin-broadwell-P100-OmniPath + integrator: + vendor: Penguin + name: + processor: + vendor: Intel + name: Xeon_E5-2695_v4 + ISA: x86_64 + uArch: broadwell + accelerator: + vendor: NVIDIA + name: P100 + ISA: PTX + uArch: sm_56 + interconnect: + vendor: Cornelis + name: OmniPath + system-tested: + site: LLNL + name: pascal + installation-year: 2018 + description: + top500-system-instances: + - diff --git a/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/variables.yaml b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/variables.yaml new file mode 100644 index 000000000..462225a52 --- /dev/null +++ b/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/variables.yaml @@ -0,0 +1,15 @@ +# Copyright 2023 Lawrence Livermore National Security, LLC and other +# Benchpark Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: Apache-2.0 + +variables: + gtl_flag: '' # to be overwritten by tests that need GTL + cuda_arch: '60' + default_cuda_version: '11.8.0' + batch_time: '02:00' + mpi_command: 'srun -N {n_nodes} -n {n_ranks}' + batch_submit: 'sbatch {execute_experiment}' + batch_nodes: '#SBATCH -N {n_nodes}' + batch_ranks: '#SBATCH -n {n_ranks}' + batch_timeout: '#SBATCH -t {batch_time}:00' diff --git a/experiments/amg2023/cuda/execute_experiment.tpl b/experiments/amg2023/cuda/execute_experiment.tpl index ef9137989..8815e9c4f 100755 --- a/experiments/amg2023/cuda/execute_experiment.tpl +++ b/experiments/amg2023/cuda/execute_experiment.tpl @@ -9,6 +9,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/amg2023/cuda/ramble.yaml b/experiments/amg2023/cuda/ramble.yaml index 3d518905b..feb5fa751 100644 --- a/experiments/amg2023/cuda/ramble.yaml +++ b/experiments/amg2023/cuda/ramble.yaml @@ -23,7 +23,6 @@ ramble: nx: '{n}' ny: '{n}' nz: '{n}' - experiment_setup: '' gtl: ['gtl', 'nogtl'] gtlflag: ['-M"-gpu"', ''] experiments: @@ -47,7 +46,7 @@ ramble: spack_spec: hypre@2.28.0 +mpi+cuda+mixedint cuda_arch=={cuda_arch} ^cuda@{default_cuda_version} compiler: default-compiler amg2023: - spack_spec: amg2023@develop +mpi+cuda ^cuda@{default_cuda_version} + spack_spec: amg2023@develop +mpi+cuda cuda_arch=={cuda_arch} ^cuda@{default_cuda_version} compiler: default-compiler environments: amg2023: diff --git a/experiments/amg2023/openmp/execute_experiment.tpl b/experiments/amg2023/openmp/execute_experiment.tpl index b803b4898..89e73cf49 100755 --- a/experiments/amg2023/openmp/execute_experiment.tpl +++ b/experiments/amg2023/openmp/execute_experiment.tpl @@ -10,8 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - -{experiment_setup} - {command} diff --git a/experiments/amg2023/openmp/ramble.yaml b/experiments/amg2023/openmp/ramble.yaml index a6612e3d1..23782fe50 100644 --- a/experiments/amg2023/openmp/ramble.yaml +++ b/experiments/amg2023/openmp/ramble.yaml @@ -31,7 +31,6 @@ ramble: nx: '{n}' ny: '{n}' nz: '{n}' - experiment_setup: '' processes_per_node: ['8', '4'] n_nodes: ['1', '2'] threads_per_node_core: ['8', '10', '13'] #TODO: Specify n_threads according to available n_nodes and n_ranks diff --git a/experiments/amg2023/rocm/execute_experiment.tpl b/experiments/amg2023/rocm/execute_experiment.tpl index af9908524..89e73cf49 100755 --- a/experiments/amg2023/rocm/execute_experiment.tpl +++ b/experiments/amg2023/rocm/execute_experiment.tpl @@ -10,8 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - -{experiment_setup} #TODO: Add experiment specific code here - {command} diff --git a/experiments/amg2023/rocm/ramble.yaml b/experiments/amg2023/rocm/ramble.yaml index d1ec1dda2..8abb76725 100644 --- a/experiments/amg2023/rocm/ramble.yaml +++ b/experiments/amg2023/rocm/ramble.yaml @@ -23,7 +23,6 @@ ramble: nx: '{n}' ny: '{n}' nz: '{n}' - experiment_setup: '' experiments: '{env_name}_problem1_{n_nodes}_{px}_{py}_{pz}_{nx}_{ny}_{nz}': variables: diff --git a/experiments/hpcc/mpi-only/execute_experiment.tpl b/experiments/hpcc/mpi-only/execute_experiment.tpl index b803b4898..89e73cf49 100755 --- a/experiments/hpcc/mpi-only/execute_experiment.tpl +++ b/experiments/hpcc/mpi-only/execute_experiment.tpl @@ -10,8 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - -{experiment_setup} - {command} diff --git a/experiments/hpcc/mpi-only/ramble.yaml b/experiments/hpcc/mpi-only/ramble.yaml index 39a50a154..fc6ff6ed9 100644 --- a/experiments/hpcc/mpi-only/ramble.yaml +++ b/experiments/hpcc/mpi-only/ramble.yaml @@ -20,7 +20,6 @@ ramble: standard: variables: n_ranks: ['1', '2', '4', '8'] - experiment_setup: '' experiments: hpcc_standard_{n_nodes}_{n_ranks}: variables: diff --git a/experiments/hpcg/openmp/execute_experiment.tpl b/experiments/hpcg/openmp/execute_experiment.tpl index d24437712..89e73cf49 100755 --- a/experiments/hpcg/openmp/execute_experiment.tpl +++ b/experiments/hpcg/openmp/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/hpl/openmp/execute_experiment.tpl b/experiments/hpl/openmp/execute_experiment.tpl index b803b4898..89e73cf49 100755 --- a/experiments/hpl/openmp/execute_experiment.tpl +++ b/experiments/hpl/openmp/execute_experiment.tpl @@ -10,8 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - -{experiment_setup} - {command} diff --git a/experiments/hpl/openmp/ramble.yaml b/experiments/hpl/openmp/ramble.yaml index 05462a12a..03083e4d9 100644 --- a/experiments/hpl/openmp/ramble.yaml +++ b/experiments/hpl/openmp/ramble.yaml @@ -30,7 +30,6 @@ ramble: Ns: 10000 N-NBs: 1 NBs: 128 - experiment_setup: '' processes_per_node: '8' n_nodes: '1' omp_num_threads: ['2', '4', '8'] diff --git a/experiments/lammps/openmp/execute_experiment.tpl b/experiments/lammps/openmp/execute_experiment.tpl index d24437712..89e73cf49 100644 --- a/experiments/lammps/openmp/execute_experiment.tpl +++ b/experiments/lammps/openmp/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/lammps/openmp/ramble.yaml b/experiments/lammps/openmp/ramble.yaml index 5c1bd7890..416d5f462 100644 --- a/experiments/lammps/openmp/ramble.yaml +++ b/experiments/lammps/openmp/ramble.yaml @@ -34,7 +34,7 @@ ramble: experiments: scaling_{n_nodes}nodes_{size_name}: variables: - env_name: lammps_omp + env_name: lammps processes_per_node: ['36'] zips: problems: @@ -48,12 +48,12 @@ ramble: spack: concretized: true packages: - lammps_omp: - spack_spec: lammps@20230802.1 +opt+manybody+molecule+kspace+rigid+openmp+openmp-package+asphere+dpd-basic+dpd-meso+dpd-react+dpd-smooth+reaxff + lammps: + spack_spec: lammps@20231121 +opt+manybody+molecule+kspace+rigid+openmp+openmp-package+asphere+dpd-basic+dpd-meso+dpd-react+dpd-smooth+reaxff compiler: default-compiler environments: - lammps_omp: + lammps: packages: - lapack - default-mpi - - lammps_omp + - lammps diff --git a/experiments/lbann/cuda/execute_experiment.tpl b/experiments/lbann/cuda/execute_experiment.tpl index f2026d0e2..1e2ea813e 100755 --- a/experiments/lbann/cuda/execute_experiment.tpl +++ b/experiments/lbann/cuda/execute_experiment.tpl @@ -10,8 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - -{experiment_setup} - {command} diff --git a/experiments/lbann/cuda/ramble.yaml b/experiments/lbann/cuda/ramble.yaml index 547a3cbdf..027481554 100644 --- a/experiments/lbann/cuda/ramble.yaml +++ b/experiments/lbann/cuda/ramble.yaml @@ -31,7 +31,6 @@ ramble: nx: '{n}' ny: '{n}' nz: '{n}' - experiment_setup: '' processes_per_node: ['8', '4'] n_nodes: ['1', '2'] threads_per_node_core: ['8', '10', '13'] #TODO: Specify n_threads according to available n_nodes and n_ranks diff --git a/experiments/lbann/rocm/execute_experiment.tpl b/experiments/lbann/rocm/execute_experiment.tpl index f2026d0e2..1e2ea813e 100755 --- a/experiments/lbann/rocm/execute_experiment.tpl +++ b/experiments/lbann/rocm/execute_experiment.tpl @@ -10,8 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - -{experiment_setup} - {command} diff --git a/experiments/md-test/mpi-only/execute_experiment.tpl b/experiments/md-test/mpi-only/execute_experiment.tpl index b803b4898..89e73cf49 100755 --- a/experiments/md-test/mpi-only/execute_experiment.tpl +++ b/experiments/md-test/mpi-only/execute_experiment.tpl @@ -10,8 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - -{experiment_setup} - {command} diff --git a/experiments/md-test/mpi-only/ramble.yaml b/experiments/md-test/mpi-only/ramble.yaml index dd6ac11a4..ef05eb7f6 100644 --- a/experiments/md-test/mpi-only/ramble.yaml +++ b/experiments/md-test/mpi-only/ramble.yaml @@ -21,7 +21,6 @@ ramble: variables: n_ranks: ['1', '2', '4', '8'] n_nodes: '1' - experiment_setup: '' experiments: mdtest_multifile_{num-objects}_{iterations}_{additional-args}_{n_nodes}_{n_ranks}: variables: diff --git a/experiments/osu-micro-benchmarks/mpi-only/execute_experiment.tpl b/experiments/osu-micro-benchmarks/mpi-only/execute_experiment.tpl index d24437712..89e73cf49 100644 --- a/experiments/osu-micro-benchmarks/mpi-only/execute_experiment.tpl +++ b/experiments/osu-micro-benchmarks/mpi-only/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/raja-perf/cuda/execute_experiment.tpl b/experiments/raja-perf/cuda/execute_experiment.tpl index d24437712..89e73cf49 100644 --- a/experiments/raja-perf/cuda/execute_experiment.tpl +++ b/experiments/raja-perf/cuda/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/raja-perf/mpi-only/execute_experiment.tpl b/experiments/raja-perf/mpi-only/execute_experiment.tpl index d24437712..89e73cf49 100644 --- a/experiments/raja-perf/mpi-only/execute_experiment.tpl +++ b/experiments/raja-perf/mpi-only/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/raja-perf/openmp/execute_experiment.tpl b/experiments/raja-perf/openmp/execute_experiment.tpl index d24437712..89e73cf49 100644 --- a/experiments/raja-perf/openmp/execute_experiment.tpl +++ b/experiments/raja-perf/openmp/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/raja-perf/rocm/execute_experiment.tpl b/experiments/raja-perf/rocm/execute_experiment.tpl index d24437712..89e73cf49 100644 --- a/experiments/raja-perf/rocm/execute_experiment.tpl +++ b/experiments/raja-perf/rocm/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/saxpy/cuda/execute_experiment.tpl b/experiments/saxpy/cuda/execute_experiment.tpl index ef9137989..8815e9c4f 100755 --- a/experiments/saxpy/cuda/execute_experiment.tpl +++ b/experiments/saxpy/cuda/execute_experiment.tpl @@ -9,6 +9,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/saxpy/openmp/execute_experiment.tpl b/experiments/saxpy/openmp/execute_experiment.tpl index d24437712..89e73cf49 100755 --- a/experiments/saxpy/openmp/execute_experiment.tpl +++ b/experiments/saxpy/openmp/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/saxpy/rocm/execute_experiment.tpl b/experiments/saxpy/rocm/execute_experiment.tpl index d24437712..89e73cf49 100755 --- a/experiments/saxpy/rocm/execute_experiment.tpl +++ b/experiments/saxpy/rocm/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command} diff --git a/experiments/stream/openmp/execute_experiment.tpl b/experiments/stream/openmp/execute_experiment.tpl index d24437712..89e73cf49 100755 --- a/experiments/stream/openmp/execute_experiment.tpl +++ b/experiments/stream/openmp/execute_experiment.tpl @@ -10,6 +10,4 @@ cd {experiment_run_dir} -{spack_setup} - {command}