Add RIKYU support for SALMON

programs/salmon/build.sh

@@ -7,6 +7,13 @@ REPO_URL="https://github.com/SALMON-TDDFT/SALMON2"
 REPO_DIR="SALMON2"
 VERSION_TAG="v.2.2.2"
 BUILD_DIR="build-benchkit"
+
+# v.2.2.2 is over a year stale and predates the OpenACC tuning, Ewald
+# tripcount fix and multi-node CUDA-context fix that RIKYU needs.
+if [[ "${system}" == "RIKYU" ]]; then
+  REPO_URL="https://github.com/william-dawson/SALMON2"
+  VERSION_TAG="FugakuNEXT-v4"
+fi
 ARTIFACT_DIR="${PWD}/artifacts"
 RESULTS_DIR="${PWD}/results"
 BUILD_LOG_DIR="${RESULTS_DIR}/salmon_build_logs"
@@ -20,14 +27,16 @@ mkdir -p "${BUILD_LOG_DIR}"
 bk_fetch_source "${REPO_URL}" "${REPO_DIR}" "${VERSION_TAG}"
 
 cd "${REPO_DIR}"
-if git apply --check "${FJMPI_PATCH}"; then
-  git apply "${FJMPI_PATCH}"
-elif git apply --reverse --check "${FJMPI_PATCH}" >/dev/null 2>&1; then
-  echo "SALMON Fujitsu MPI topology patch is already applied"
-else
-  echo "SALMON Fujitsu MPI topology patch does not apply to ${VERSION_TAG}" >&2
-  exit 1
+# Only Fugaku compiles the Fujitsu MPI path.
+if [[ "${system}" == "Fugaku" || "${system}" == "FugakuCN" ]]; then
+  if git apply --check "${FJMPI_PATCH}"; then
+    git apply "${FJMPI_PATCH}"
+  elif ! git apply --reverse --check "${FJMPI_PATCH}" >/dev/null 2>&1; then
+    echo "SALMON Fujitsu MPI topology patch does not apply to ${VERSION_TAG}" >&2
+    exit 1
+  fi
 fi
+
 rm -rf "${BUILD_DIR}"
 mkdir -p "${BUILD_DIR}"
 
@@ -167,6 +176,21 @@ case "${system}" in
   #     -DUSE_FJMPI=OFF
   #   )
   #   ;;
+  RIKYU)
+    module purge
+    module load nvhpc-hpcx-cuda13/26.5
+    cmake_args=(
+      "${common_cmake_args[@]}"
+      -DCMAKE_Fortran_COMPILER=mpif90
+      -DCMAKE_C_COMPILER=mpicc
+      -DOPENMP_FLAGS=-Mnoopenmp
+      -DUSE_OPENACC=ON
+      -DUSE_MPI_DEFAULT=ON
+      -DCMAKE_SYSTEM_PROCESSOR=openacc
+      -DCMAKE_Fortran_FLAGS="-O3 -Wall -fstrict-aliasing -acc=strict -gpu=cc100,managed,ptxinfo -cudalib=cublas,cusolver,nccl -cuda -Minfo=accel -DUSE_OPENACC -DUSE_GEMM -DUSE_NCCL"
+      -DCMAKE_C_FLAGS="-O3 -Wall -alias=ansi -acc=strict -gpu=cc100,managed,ptxinfo -cudalib=cublas,cusolver,nccl -cuda -Minfo=accel -DUSE_OPENACC -DUSE_GEMM -DUSE_NCCL"
+    )
+    ;;
   *)
     echo "Unknown system: ${system}" >&2
     exit 1

programs/salmon/list.csv

@@ -1,6 +1,10 @@
 system,enable,nodes,numproc_node,nthreads,elapse
-Fugaku,yes,1,4,12,0:10:00
+Fugaku,yes,24,1,12,0:30:00
 RC_GH200,yes,1,1,1,0:10:00
 RC_DGXSP,yes,1,1,1,1:00:00
 RC_GENOA,yes,1,1,48,2:00:00
 RC_FX700,no,1,1,48,0:30:00
+RIKYU,yes,1,4,1,0:30:00
+RIKYU,yes,2,4,1,0:30:00
+RIKYU,yes,3,4,1,0:30:00
+RIKYU,yes,4,4,1,0:30:00