filter out input scripts for testing, remove concurrent (matrix) testing

.github/workflows/kokkos-regression.yaml

@@ -16,10 +16,6 @@ jobs:
     runs-on: ubuntu-latest
     env:
       CCACHE_DIR: ${{ github.workspace }}/.ccache
-    strategy:
-      max-parallel: 4
-      matrix:
-        style: [ 'pair', 'fix', 'compute', 'misc' ]
 
     steps:
     - name: Checkout repository
@@ -73,6 +69,7 @@ jobs:
               -D PKG_PYTHON=on \
               -D PKG_QEQ=on \
               -D PKG_REAXFF=on \
+              -D PKG_REPLICA=on \
               -D BUILD_OMP=yes \
               -G Ninja
         cmake --build build
@@ -82,32 +79,23 @@ jobs:
       shell: bash
       run: |
         source linuxenv/bin/activate
-        python3 tools/regression-tests/get_kokkos_input.py --examples-top-level=examples
+        python3 tools/regression-tests/get_kokkos_input.py --examples-top-level=examples --filter-out="balance;mdi;mliap;pace;prd;pour;python;snap"
 
         python3 tools/regression-tests/run_tests.py \
                --lmp-bin=build/lmp \
                --config-file=tools/regression-tests/config_kokkos_openmp.yaml \
-               --list-input=input-list-${{ matrix.style }}-kk.txt \
-               --output-file=output-${{ matrix.style }}.xml \
-               --progress-file=progress-${{ matrix.style }}.yaml \
-               --log-file=run-${{ matrix.style }}.log \
+               --list-input=input-list-pair-kk.txt \
+               --output-file=output-pair.xml \
+               --progress-file=progress-pair.yaml \
+               --log-file=run-pair.log \
                --verbose
 
-        tar -cvf kokkos-regression-test-${{ matrix.style }}.tar run-${{ matrix.style }}.log progress-${{ matrix.style }}.yaml output-${{ matrix.style }}.xml
+        tar -cvf kokkos-regression-test-pair.tar run-pair.log progress-pair.yaml output-pair.xml
 
     - name: Upload artifacts
       uses: actions/upload-artifact@v4
       with:
-        name: kokkos-regression-test-artifact-${{ matrix.style }}
-        path: kokkos-regression-test-${{ matrix.style }}.tar
+        name: kokkos-regression-test-artifact
+        path: kokkos-regression-test.tar
 
-  merge:
-    runs-on: ubuntu-latest
-    needs: build
-    steps:
-      - name: Merge Artifacts
-        uses: actions/upload-artifact/merge@v4
-        with:
-          name: merged-kokkos-regresssion-artifact
-          pattern: kokkos-regression-test-artifact-*
 

tools/regression-tests/get_kokkos_input.py

@@ -11,7 +11,7 @@ import subprocess
 import sys
 
 # in_style = fix, pair, compute, angle, bond, dihedral, improper, min
-def generate_list(in_style, example_toplevel, output_list):
+def generate_list(in_style, example_toplevel, filter_out, output_list):
     
     # find all the pair styles with the kokkos suffix 
     cmd_str = f"ls {example_toplevel}/../src/KOKKOS | grep {in_style} | grep .cpp"
@@ -40,21 +40,31 @@ def generate_list(in_style, example_toplevel, output_list):
         #print(f"There are {len(input_list)} input files that contains {in_style} {style}")
         for input in input_list:
             if input != "":
+                skip = False
+                for filter in filter_out:
+                    if filter in input:
+                        skip = True
+                        break
+                if skip == True:
+                    continue
+                else:    
                     output_list.append(input)
 
 
 if __name__ == "__main__":
     parser = ArgumentParser()
     parser.add_argument("--examples-top-level", dest="example_toplevel", default="", help="Examples top-level")
+    parser.add_argument("--filter-out", dest="filter_out", default="", help="Filter out input scripts that contain strings")
 
     args = parser.parse_args()
     example_toplevel = args.example_toplevel
+    filter_out = args.filter_out.split(";")
 
     # print the list of the input scripts that has each feature to a separate file
     features = [ 'pair', 'fix', 'compute' ]
     for feature in features:
         input_list = []
-        generate_list(feature, example_toplevel, input_list)
+        generate_list(feature, example_toplevel, filter_out, input_list)
         with open(f"input-list-{feature}-kk.txt", "w") as f:
             for input in input_list:
                 if input != "":
@@ -64,7 +74,7 @@ if __name__ == "__main__":
     features = [ 'angle', 'bond', 'dihedral', 'improper', 'min' ]
     input_list = []
     for feature in features:
-        generate_list(feature, example_toplevel, input_list)
+        generate_list(feature, example_toplevel, filter_out, input_list)
 
     with open(f"input-list-misc-kk.txt", "w") as f:
         for input in input_list: