Merge branch 'develop' into experiment/kripke

LLNL · Feb 20, 2024 · b990191 · b990191
2 parents c15af53 + fa3236a
commit b990191
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Showing 36 changed files with 158 additions and 70 deletions.
diff --git 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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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: [email protected]
+      prefix: /usr
+    buildable: false
+  cmake:
+    externals:
+    - spec: [email protected]
+      prefix: /usr/tce/packages/cmake/cmake-3.23.1
+    buildable: false
+  gmake:
+    externals:
+    - spec: [email protected]
+      prefix: /usr/tcetmp/packages/gmake/gmake-4.2.1
+    buildable: false
+  automake:
+    externals:
+    - spec: [email protected]
+      prefix: /usr
+  autoconf:
+    externals:
+    - spec: [email protected]
+      prefix: /usr
+  mpi:
+    buildable: false
+  mvapich2:
+    buildable: false
+    externals:
+    - spec: [email protected]%[email protected]
+      prefix: /usr/tce/packages/mvapich2/mvapich2-2.3.7-intel-classic-2021.6.0/
+  cuda:
+    buildable: false
+    externals:
+    - spec: [email protected]
+      prefix: /usr/tce/packages/cuda/cuda-11.8.0/
+  curand:
+    externals:
+    - spec: [email protected]
+      prefix: /usr/tce/packages/cuda/cuda-11.8.0
+    buildable: false
+  cusparse:
+    externals:
+    - spec: [email protected]
+      prefix: /usr/tce/packages/cuda/cuda-11.8.0
+    buildable: false
+  cublas:
+    externals:
+    - spec: [email protected]
+      prefix: /usr/tce/packages/cuda/cuda-11.8.0
+    buildable: false
+  blas:
+    buildable: false
+  lapack:
+    buildable: false
+  intel-oneapi-mkl:
+    externals:
+    - spec: [email protected]
+      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
@@ -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: [email protected]
+    compiler-gcc:
+      spack_spec: gcc@=11.2.1
+    cublas-cuda:
+      spack_spec: cublas@{default_cuda_version}
+    lapack:
+      spack_spec: [email protected]
diff --git a/configs/LLNL-Pascal-Penguin-broadwell-P100-OmniPath/system_definition.yaml 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
@@ -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
@@ -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
@@ -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: [email protected] +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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -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
@@ -10,6 +10,4 @@
 
 cd {experiment_run_dir}
 
-{spack_setup}
-
 {command}
Original file line number	Diff line number	Diff line change
Expand Up		@@ -9,6 +9,4 @@

		cd {experiment_run_dir}

		{spack_setup}

		{command}
Original file line number	Diff line number	Diff line change
Expand Up		@@ -10,6 +10,4 @@

		cd {experiment_run_dir}

		{spack_setup}

		{command}