Merge with develop

Author: Riyaz Haque

.github/workflows/run.yml

@@ -224,7 +224,7 @@ jobs:
 
       - name: Dry run dynamic gromacs/openmp with dynamic Ruby
         run: |
-          ./bin/benchpark system init --dest=cluster-system llnl-cluster compiler=gcc lapack=intel-oneapi-mkl blas=intel-oneapi-mkl
+          ./bin/benchpark system init --dest=cluster-system llnl-cluster compiler=gcc 
           system_id=$(./bin/benchpark system id ./cluster-system)
           ./bin/benchpark experiment init --dest=gromacs-openmp gromacs +openmp~cuda~rocm gpu-aware-mpi=off
           ./bin/benchpark setup ./gromacs-openmp ./cluster-system workspace/
@@ -346,26 +346,6 @@ jobs:
             --disable-logger \
             workspace setup --dry-run
 
-      - name: Dry run genesis/openmp with allocation modifier on Fugaku
-        run: |
-          ./bin/benchpark setup genesis/openmp RCCS-Fugaku-Fujitsu-A64FX-TofuD workspace/
-          . workspace/setup.sh
-          ramble \
-            --workspace-dir workspace/genesis/openmp/RCCS-Fugaku-Fujitsu-A64FX-TofuD/workspace \
-            --disable-progress-bar \
-            --disable-logger \
-            workspace setup --dry-run
-
-      - name: Dry run genesis/openmp with allocation modifier on nosite-x86_64
-        run: |
-          ./bin/benchpark setup genesis/openmp nosite-x86_64 workspace/
-          . workspace/setup.sh
-          ramble \
-            --workspace-dir workspace/genesis/openmp/nosite-x86_64/workspace \
-            --disable-progress-bar \
-            --disable-logger \
-            workspace setup --dry-run
-
       - name: Dry run salmon/openmp with allocation modifier on Fugaku
         run: |
           ./bin/benchpark setup salmon/openmp RCCS-Fugaku-Fujitsu-A64FX-TofuD workspace/
@@ -396,9 +376,9 @@ jobs:
             --disable-logger \
             workspace setup --dry-run
 
-      - name: Dry run dynamic saxpy/openmp with dynamic llnl-cluster ruby
+      - name: Dry run dynamic saxpy/openmp with dynamic llnl-cluster ruby compiler=intel
         run: |
-          ./bin/benchpark system init --dest=ruby-system llnl-cluster cluster=ruby
+          ./bin/benchpark system init --dest=ruby-system llnl-cluster cluster=ruby compiler=intel
           system_id=$(./bin/benchpark system id ./ruby-system)
           ./bin/benchpark experiment init --dest=saxpy-openmp saxpy+openmp
           ./bin/benchpark setup ./saxpy-openmp ./ruby-system workspace/
@@ -434,32 +414,33 @@ jobs:
             --disable-logger \
             workspace setup --dry-run
 
-      - name: Dry run dynamic saxpy/openmp with dynamic generic x86
+      - name: Dry run dynamic amg2023+openmp with dynamic generic x86
         run: |
           ./bin/benchpark system init --dest=x86-system genericx86
-          ./bin/benchpark experiment init --dest=saxpy-omp-generic saxpy+openmp
-          ./bin/benchpark setup ./saxpy-omp-generic ./x86-system workspace/
+          ./bin/benchpark experiment init --dest=amg2023-openmp-generic amg2023+openmp
+          ./bin/benchpark setup ./amg2023-openmp-generic ./x86-system workspace/
           . workspace/setup.sh
           ramble \
-            --workspace-dir "workspace/saxpy-omp-generic/x86-system/workspace" \
+            --workspace-dir "workspace/amg2023-openmp-generic/x86-system/workspace" \
             --disable-progress-bar \
             --disable-logger \
             workspace setup --dry-run
 
       - name: Dry run dynamic saxpy/openmp with dynamic aws
         run: |
           ./bin/benchpark system init --dest=aws1 aws-pcluster instance_type=hpc6a.48xlarge
-          ./bin/benchpark setup ./saxpy-omp-generic ./aws1 workspace/
+          ./bin/benchpark experiment init --dest=saxpy-openmp-generic saxpy+openmp
+          ./bin/benchpark setup ./saxpy-openmp-generic ./aws1 workspace/
           . workspace/setup.sh
           ramble \
-            --workspace-dir "workspace/saxpy-omp-generic/aws1/workspace" \
+            --workspace-dir "workspace/saxpy-openmp-generic/aws1/workspace" \
             --disable-progress-bar \
             --disable-logger \
             workspace setup --dry-run
 
       - name: Dry run dynamic remhos/mpi with dynamic Ruby
         run: |
-          ./bin/benchpark system init --dest=cluster-system1 llnl-cluster compiler=gcc lapack=intel-oneapi-mkl blas=intel-oneapi-mkl
+          ./bin/benchpark system init --dest=cluster-system1 llnl-cluster compiler=gcc 
           system_id=$(./bin/benchpark system id ./cluster-system1)
           ./bin/benchpark experiment init --dest=remhos-mpi-ruby remhos ~cuda~rocm caliper=mpi,time
           ./bin/benchpark setup ./remhos-mpi-ruby ./cluster-system1 workspace/
@@ -537,11 +518,11 @@ jobs:
       - name: Dry run dynamic saxpy/openmp with dynamic fugaku
         run: |
           ./bin/benchpark system init --dest=fugaku-system fugaku
-          ./bin/benchpark experiment init --dest=saxpy-omp-fugaku saxpy+openmp
-          ./bin/benchpark setup ./saxpy-omp-fugaku ./fugaku-system workspace/
+          ./bin/benchpark experiment init --dest=saxpy-openmp-fugaku saxpy+openmp
+          ./bin/benchpark setup ./saxpy-openmp-fugaku ./fugaku-system workspace/
           . workspace/setup.sh
           ramble \
-            --workspace-dir workspace/saxpy-omp-fugaku/Fugaku-cf3cb1d/workspace \
+            --workspace-dir workspace/saxpy-openmp-fugaku/Fugaku-cf3cb1d/workspace \
             --disable-progress-bar \
             --disable-logger \
             workspace setup --dry-run
@@ -627,4 +608,65 @@ jobs:
             --workspace-dir "workspace/babelstream/$system_id/workspace" \
             --disable-progress-bar \
             --disable-logger \
-            workspace setup --dry-run
+            workspace setup --dry-run
+
+      - name: Dry run dynamic raja-perf/mpi with dynamic CTS ruby
+        run: |
+          ./bin/benchpark experiment init --dest=raja-perf raja-perf
+          ./bin/benchpark setup ./raja-perf ./ruby-system workspace/
+          system_id=$(./bin/benchpark system id ./ruby-system)
+          . workspace/setup.sh
+          ramble \
+            --workspace-dir "workspace/raja-perf/$system_id/workspace" \
+            --disable-progress-bar \
+            --disable-logger \
+            workspace setup --dry-run
+
+      - name: Dry run dynamic raja-perf/mpi with dynamic CTS tioga
+        run: |
+          ./bin/benchpark experiment init --dest=raja-perf-tioga raja-perf
+          ./bin/benchpark setup ./raja-perf-tioga ./tioga-system workspace/
+          system_id=$(./bin/benchpark system id ./tioga-system)
+          . workspace/setup.sh
+          ramble \
+            --workspace-dir "workspace/raja-perf-tioga/$system_id/workspace" \
+            --disable-progress-bar \
+            --disable-logger \
+            workspace setup --dry-run
+
+      - name: Dry run dynamic raja-perf/mpi with dynamic CTS lassen
+        run: |
+          ./bin/benchpark experiment init --dest=raja-perf-lassen raja-perf
+          ./bin/benchpark system init --dest=lassen-clang llnl-sierra compiler=clang
+          ./bin/benchpark setup ./raja-perf-lassen ./lassen-clang workspace/
+          system_id=$(./bin/benchpark system id ./lassen-clang)
+          . workspace/setup.sh
+          ramble \
+            --workspace-dir "workspace/raja-perf-lassen/$system_id/workspace" \
+            --disable-progress-bar \
+            --disable-logger \
+            workspace setup --dry-run
+
+      - name: Dry run dynamic genesis/openmp with dynamic CTS ruby
+        run: |
+          system_id=$(./bin/benchpark system id ./ruby-system)
+          ./bin/benchpark experiment init --dest genesis-openmp genesis +openmp
+          ./bin/benchpark setup genesis-openmp ./ruby-system workspace/
+          . workspace/setup.sh
+          ramble \
+            --workspace-dir workspace/genesis-openmp/$system_id/workspace \
+            --disable-progress-bar \
+            --disable-logger \
+            workspace setup --dry-run
+
+      - name: Dry run dynamic genesis/openmp with dynamic fugaku
+        run: |
+          system_id=$(./bin/benchpark system id ./fugaku-system)
+          ./bin/benchpark experiment init --dest=genesis-openmp-fugaku genesis+openmp
+          ./bin/benchpark setup ./genesis-openmp-fugaku ./fugaku-system workspace/
+          . workspace/setup.sh
+          ramble \
+            --workspace-dir workspace/genesis-openmp-fugaku/$system_id/workspace \
+            --disable-progress-bar \
+            --disable-logger \
+            workspace setup --dry-run

experiments/amg2023/experiment.py

@@ -140,8 +140,8 @@ def compute_spack_section(self):
         system_specs = {}
         system_specs["compiler"] = "default-compiler"
         system_specs["mpi"] = "default-mpi"
-        system_specs["lapack"] = "default-lapack"
-        system_specs["blas"] = "default-blas"
+        system_specs["lapack"] = "lapack"
+        system_specs["blas"] = "blas"
 
         # set package spack specs
         # empty package_specs value implies external package

experiments/genesis/experiment.py

@@ -0,0 +1,67 @@
+# 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
+
+from benchpark.directives import variant
+from benchpark.experiment import Experiment
+from benchpark.openmp import OpenMPExperiment
+
+
+class Genesis(Experiment, OpenMPExperiment):
+
+    variant(
+        "workload",
+        default="DHFR",
+        values=("DHFR", "ApoA1", "UUN", "cryoEM"),
+        description="genesis",
+    )
+
+    variant(
+        "version",
+        default="main",
+        description="app version",
+    )
+
+    def compute_applications_section(self):
+
+        self.add_experiment_variable("experiment_setup", "")
+        self.add_experiment_variable("lx", "32")
+        self.add_experiment_variable("ly", "6")
+        self.add_experiment_variable("lz", "4")
+        self.add_experiment_variable("lt", "3")
+        self.add_experiment_variable("px", "1")
+        self.add_experiment_variable("py", "1")
+        self.add_experiment_variable("pz", "1")
+        self.add_experiment_variable("pt", "1")
+        self.add_experiment_variable("tol_outer", "-1")
+        self.add_experiment_variable("tol_inner", "-1")
+        self.add_experiment_variable("maxiter_plus1_outer", "6")
+        self.add_experiment_variable("maxiter_inner", "50")
+
+        if self.spec.satisfies("+openmp"):
+            self.add_experiment_variable("n_nodes", ["2"], True)
+            self.add_experiment_variable("processes_per_node", ["4"])
+            self.add_experiment_variable("n_ranks", "{processes_per_node} * {n_nodes}")
+            self.add_experiment_variable("omp_num_threads", ["12"])
+            self.add_experiment_variable("arch", "OpenMP")
+
+    def compute_spack_section(self):
+        # get package version
+        app_version = self.spec.variants["version"][0]
+
+        system_specs = {}
+        system_specs["compiler"] = "default-compiler"
+        system_specs["mpi"] = "default-mpi"
+        system_specs["lapack"] = "lapack"
+
+        # if package_spec left empty spack will use external
+        self.add_spack_spec(system_specs["mpi"])
+        self.add_spack_spec(system_specs["lapack"])
+
+        self.add_spack_spec(
+            self.name, [f"genesis@{app_version} +mpi", system_specs["compiler"]]
+        )
+        self.add_spack_spec(
+            system_specs["lapack"], [system_specs["lapack"], system_specs["compiler"]]
+        )

experiments/gromacs/experiment.py

@@ -93,8 +93,8 @@ def compute_spack_section(self):
         system_specs = {}
         system_specs["compiler"] = "default-compiler"
         system_specs["mpi"] = "default-mpi"
-        system_specs["blas"] = "default-blas"
-        system_specs["lapack"] = "default-lapack"
+        system_specs["blas"] = "blas"
+        system_specs["lapack"] = "lapack"
 
         # set package spack specs
         # empty package_specs value implies external package

experiments/laghos/experiment.py

@@ -66,8 +66,8 @@ def compute_spack_section(self):
         system_specs = {}
         system_specs["compiler"] = "default-compiler"
         system_specs["mpi"] = "default-mpi"
-        system_specs["lapack"] = "default-lapack"
-        system_specs["blas"] = "default-blas"
+        system_specs["lapack"] = "lapack"
+        system_specs["blas"] = "blas"
 
         # set package spack specs
         # empty package_specs value implies external package

experiments/raja-perf/experiment.py

@@ -0,0 +1,77 @@
+# 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
+
+from benchpark.directives import variant
+from benchpark.experiment import Experiment
+from benchpark.scaling import StrongScaling
+from benchpark.openmp import OpenMPExperiment
+from benchpark.cuda import CudaExperiment
+from benchpark.rocm import ROCmExperiment
+from benchpark.expr.builtin.caliper import Caliper
+
+
+class RajaPerf(
+    Experiment,
+    StrongScaling,
+    CudaExperiment,
+    ROCmExperiment,
+    OpenMPExperiment,
+    Caliper,
+):
+    variant(
+        "workload",
+        default="suite",
+        description="base Rajaperf suite or other problem",
+    )
+
+    variant(
+        "version",
+        default="develop",
+        description="app version",
+    )
+
+    def compute_applications_section(self):
+
+        n_resources = {"n_ranks": 1}
+
+        if self.spec.satisfies("+single_node"):
+            for pk, pv in n_resources.items():
+                n_resources = pv
+
+        elif self.spec.satisfies("+strong"):
+            scaled_variables = self.generate_strong_scaling_params(
+                {tuple(n_resources.keys()): list(n_resources.values())},
+                int(self.spec.variants["scaling-factor"][0]),
+                int(self.spec.variants["scaling-iterations"][0]),
+            )
+            n_resources = scaled_variables["n_ranks"]
+
+        if self.spec.satisfies("+cuda") or self.spec.satisfies("+rocm"):
+            self.add_experiment_variable("n_gpus", n_resources, True)
+        elif self.spec.satisfies("+openmp"):
+            self.add_experiment_variable("n_ranks", n_resources, True)
+            self.add_experiment_variable("n_threads_per_proc", 1, True)
+        else:
+            self.add_experiment_variable("n_ranks", n_resources, True)
+
+    def compute_spack_section(self):
+        # get package version
+        app_version = self.spec.variants["version"][0]
+
+        system_specs = {}
+        system_specs["compiler"] = "default-compiler"
+        system_specs["mpi"] = "default-mpi"
+
+        if self.spec.satisfies("+cuda"):
+            system_specs["cuda_version"] = "{default_cuda_version}"
+            system_specs["cuda_arch"] = "{cuda_arch}"
+        if self.spec.satisfies("+rocm"):
+            system_specs["rocm_arch"] = "{rocm_arch}"
+
+        self.add_spack_spec(system_specs["mpi"])
+
+        self.add_spack_spec(
+            self.name, [f"raja-perf@{app_version}", system_specs["compiler"]]
+        )

experiments/remhos/experiment.py

@@ -92,8 +92,8 @@ def compute_spack_section(self):
         system_specs = {}
         system_specs["compiler"] = "default-compiler"
         system_specs["mpi"] = "default-mpi"
-        system_specs["lapack"] = "default-lapack"
-        system_specs["blas"] = "default-blas"
+        system_specs["blas"] = "blas"
+        system_specs["lapack"] = "lapack"
 
         # set package spack specs
         # empty package_specs value implies external package

repo/genesis/package.py

@@ -17,7 +17,10 @@ class Genesis(AutotoolsPackage):
     homepage = "https://www.r-ccs.riken.jp/labs/cbrt/"
     git = "https://github.com/genesis-release-r-ccs/genesis"
 
-    version("master", branch="master", submodules=False)
+    version("main", branch="main", submodules=False)
+    version(
+        "2.1.4", submodules=False, tag="v2.1.4", commit="48fa5654ae1ecdf606fb6cd0bdcc2952f5caaa65"
+    )
     version(
         "2.1.3", submodules=False, tag="v2.1.3", commit="835ef1538f9350cfa7e9489f340837d0908afbd2"
     )