From b55a5439eaf22a8e5eaa2c035bd6725c688d38c9 Mon Sep 17 00:00:00 2001
From: Gaurav Dhingra <gauravdhingra.gxyd@gmail.com>
Date: Wed, 26 Mar 2025 15:32:11 +0530
Subject: [PATCH 1/2] CI: run POT3D validation with MPI rank 4 as well

---
 tests/pot3d/validate.sh | 49 +++++++++++++++--------------------------
 1 file changed, 18 insertions(+), 31 deletions(-)

diff --git a/tests/pot3d/validate.sh b/tests/pot3d/validate.sh
index c8f10a4..0f463f4 100755
--- a/tests/pot3d/validate.sh
+++ b/tests/pot3d/validate.sh
@@ -7,36 +7,23 @@ MPIEXEC=${CONDA_PREFIX}/bin/mpiexec
 cp ${POT3D_HOME}/testsuite/${TEST}/input/* ${POT3D_HOME}/testsuite/${TEST}/run/
 cd ${POT3D_HOME}/testsuite/${TEST}/run
 
-echo "Running POT3D with 1 MPI rank..."
-${MPIEXEC} -np 1 ${POT3D_HOME}/bin/pot3d 1> pot3d.log 2>pot3d.err
-echo "Done!"
-
-runtime=($(tail -n 5 timing.out | head -n 1))
-echo "Wall clock time:                ${runtime[6]} seconds"
-echo " "
-
-#Validate run:
-${POT3D_HOME}/scripts/pot3d_validation.sh pot3d.out ${POT3D_HOME}/testsuite/${TEST}/validation/pot3d.out
-if [ $? -ne 0 ]; then
-  echo "Validation failed for 1 MPI rank. Exiting..."
-  exit 1
-fi
+for np in 1 2 4; do
+  rm -rf pot3d.log pot3d.out timing.out
+  echo "Running POT3D with $np MPI rank..."
+  ${MPIEXEC} -np ${np} ${POT3D_HOME}/bin/pot3d 1> pot3d.log 2>pot3d.err
+  echo "Done!"
+
+  runtime=($(tail -n 5 timing.out | head -n 1))
+  echo "Wall clock time:                ${runtime[6]} seconds"
+  echo " "
+
+  #Validate run:
+  ${POT3D_HOME}/scripts/pot3d_validation.sh pot3d.out ${POT3D_HOME}/testsuite/${TEST}/validation/pot3d.out
+  if [ $? -ne 0 ]; then
+    echo "Validation failed for $np MPI rank. Exiting..."
+    exit 1
+  fi
+  echo ""
+done
 
-rm pot3d.log pot3d.out timing.out
-echo " "
-echo "Running POT3D with 2 MPI ranks..."
-${MPIEXEC} -np 2 ${POT3D_HOME}/bin/pot3d 1> pot3d.log 2>pot3d.err
 echo "Done!"
-
-runtime=($(tail -n 5 timing.out | head -n 1))
-echo "Wall clock time:                ${runtime[6]} seconds"
-echo " "
-
-#Validate run:
-${POT3D_HOME}/scripts/pot3d_validation.sh pot3d.out ${POT3D_HOME}/testsuite/${TEST}/validation/pot3d.out
-if [ $? -ne 0 ]; then
-  echo "Validation failed for 2 MPI rank. Exiting..."
-  exit 1
-fi
-echo " "
-

From 19be2b431d3ba133d7eb0415d6759f7f582f3ebf Mon Sep 17 00:00:00 2001
From: Gaurav Dhingra <gauravdhingra.gxyd@gmail.com>
Date: Wed, 26 Mar 2025 15:49:24 +0530
Subject: [PATCH 2/2] use `--oversubscribe` with Open MPI when running with MPI
 rank 4

---
 tests/pot3d/validate.sh | 26 +++++++++++++++++++++++++-
 1 file changed, 25 insertions(+), 1 deletion(-)

diff --git a/tests/pot3d/validate.sh b/tests/pot3d/validate.sh
index 0f463f4..7dfe013 100755
--- a/tests/pot3d/validate.sh
+++ b/tests/pot3d/validate.sh
@@ -7,10 +7,34 @@ MPIEXEC=${CONDA_PREFIX}/bin/mpiexec
 cp ${POT3D_HOME}/testsuite/${TEST}/input/* ${POT3D_HOME}/testsuite/${TEST}/run/
 cd ${POT3D_HOME}/testsuite/${TEST}/run
 
+# detect MPI implementation
+MPI_VERSION=$($MPIEXEC --version 2>&1)
+if echo "$MPI_VERSION" | grep -q "Open MPI"; then
+  MPI_TYPE="openmpi"
+elif echo "$MPI_VERSION" | grep -q "MPICH"; then
+  MPI_TYPE="mpich"
+else
+  # we don't yet support other MPI implementations
+  # like intel MPI etc.0
+  echo -e "${RED}Unknown MPI implementation!${NC}"
+  exit 1
+fi
+
 for np in 1 2 4; do
   rm -rf pot3d.log pot3d.out timing.out
+
+  # set MPIEXEC_ARGS based on MPI type and number of ranks
+  # `--oversubscribe` isn't needed with Open MPI when running
+  # with 1 or 2 ranks
+  if [[ "$MPI_TYPE" == "openmpi" && $np -gt 2 ]]; then
+    MPIEXEC_ARGS="--oversubscribe"
+  else
+    MPIEXEC_ARGS=""
+  fi
+
   echo "Running POT3D with $np MPI rank..."
-  ${MPIEXEC} -np ${np} ${POT3D_HOME}/bin/pot3d 1> pot3d.log 2>pot3d.err
+
+  ${MPIEXEC} -np ${np} ${MPIEXEC_ARGS} ${POT3D_HOME}/bin/pot3d 1> pot3d.log 2>pot3d.err
   echo "Done!"
 
   runtime=($(tail -n 5 timing.out | head -n 1))