diff --git a/.github/workflows/kokkos-regression.yaml b/.github/workflows/kokkos-regression.yaml index 0f5f5f67c0..49a610fb31 100644 --- a/.github/workflows/kokkos-regression.yaml +++ b/.github/workflows/kokkos-regression.yaml @@ -83,6 +83,7 @@ jobs: -D PKG_REAXFF=on \ -D PKG_REPLICA=on \ -D PKG_SRD=on \ + -D PKG_SPH=on \ -D PKG_VORONOI=on \ -G Ninja cmake --build build @@ -93,8 +94,8 @@ jobs: run: | source linuxenv/bin/activate python3 tools/regression-tests/get_kokkos_input.py \ - --examples-top-level=examples --batch-size=100 \ - --filter-out="balance;fire;gcmc;granregion;mdi;mliap;neb;pace;prd;pour;python;snap" + --examples-top-level=examples --batch-size=50 \ + --filter-out="balance;fire;gcmc;granregion;hyper;mc;mdi;mliap;neb;pace;prd;pour;python;rigid;snap;streitz;shear;ttm" cat input-list-fix-*-kk.txt > input-list-fix-kk.txt export OMP_PROC_BIND=false diff --git a/tools/regression-tests/get_kokkos_input.py b/tools/regression-tests/get_kokkos_input.py index ca4108a9ec..f94ca42c8e 100644 --- a/tools/regression-tests/get_kokkos_input.py +++ b/tools/regression-tests/get_kokkos_input.py @@ -7,6 +7,7 @@ # These 4 files will be read in by the regression tester run_tests.py from argparse import ArgumentParser +import random import subprocess import sys @@ -68,7 +69,7 @@ if __name__ == "__main__": input_list = [] generate_list(feature, example_toplevel, filter_out, input_list) - num_batches = int((len(input_list) + batch_size - 1) / batch_size) + num_batches = int(len(input_list) / batch_size) if num_batches < 2: with open(f"input-list-{feature}-kk.txt", "w") as f: for input in input_list: @@ -77,13 +78,15 @@ if __name__ == "__main__": else: for idx in range(num_batches): with open(f"input-list-{feature}-{idx}-kk.txt", "w") as f: - start = idx * batch_size - for i in range(batch_size): - if start + i < len(input_list): - input = input_list[start + i] - if input != "": - f.write(f"{input}\n") - + if len(input_list) > batch_size: + sampled = random.sample(input_list, batch_size) + else: + sampled = input_list + for input in sampled: + if input != "": + if input in input_list: + input_list.remove(input) + f.write(f"{input}\n") # combine the list of the input scripts that have these feature to a single file input-list-misc-kk.txt features = [ 'angle', 'bond', 'dihedral', 'improper', 'min' ]