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test logic to run with different nprocs than the ref files if nprocs is specified

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Trung Nguyen
2024-10-07 16:39:26 -05:00
parent 09a115cb89
commit 900f472ea6
3 changed files with 11 additions and 8 deletions
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4
tools/regression-tests/config_kokkos.yaml
View File

@ -1,9 +1,9 @@
--- ---
lmp_binary: "" lmp_binary: ""
nprocs: "4" nprocs: "2"
args: "-cite none -k on g 2 -sf kk -pk kokkos newton on neigh half" args: "-cite none -k on g 2 -sf kk -pk kokkos newton on neigh half"
mpiexec: "mpirun" mpiexec: "mpirun"
mpiexec_numproc_flag: "--host localhost:4 -np" mpiexec_numproc_flag: "--host localhost:2 -np"
tolerance: tolerance:
PotEng: PotEng:
abs: 1e-4 abs: 1e-4

4
tools/regression-tests/config_kokkos_openmp.yaml
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@ -1,9 +1,9 @@
--- ---
lmp_binary: "" lmp_binary: ""
nprocs: "4" nprocs: "2"
args: "-cite none -k on t 2 -sf kk -pk kokkos newton on neigh half" args: "-cite none -k on t 2 -sf kk -pk kokkos newton on neigh half"
mpiexec: "mpirun" mpiexec: "mpirun"
mpiexec_numproc_flag: "--host localhost:4 -np" mpiexec_numproc_flag: "--host localhost:2 -np"
tolerance: tolerance:
PotEng: PotEng:
abs: 1e-4 abs: 1e-4

11
tools/regression-tests/run_tests.py
View File

@ -300,12 +300,15 @@ def iterate(lmp_binary, input_folder, input_list, config, results, progress_file
saved_nprocs = config['nprocs'] saved_nprocs = config['nprocs']
# if the maximum number of procs is different from the value in the configuration file # if the nprocs value in the configuration file is empty then use max_np for this particular input script
# then override the setting for this particular input script if config['nprocs'] == "":
if max_np != int(config['nprocs']):
config['nprocs'] = str(max_np) config['nprocs'] = str(max_np)
else:
# otherwise use the nprocs value in the configuration file (4 for most examples)
logger.info(f" Using nprocs {config['nprocs']} nprocs for {input_test} as specified in the config file.")
logger.info(f" The maximum number of procs in the log files is {max_np}.")
# store the value of nprocs # store the value of nprocs to name the generated log file
nprocs = int(config['nprocs']) nprocs = int(config['nprocs'])
# if valgrind is used for mem check, the run command will be # if valgrind is used for mem check, the run command will be