diff --git a/tools/regression-tests/README b/tools/regression-tests/README index 1342e50310..b698be6669 100644 --- a/tools/regression-tests/README +++ b/tools/regression-tests/README @@ -106,7 +106,7 @@ An example of the test configuration `config.yaml` is given as below. --- lmp_binary: "" - nprocs: "4" + nprocs: "" args: "-cite none" mpiexec: "mpirun" mpiexec_numproc_flag: "-np" @@ -135,7 +135,8 @@ An example of the test configuration `config.yaml` is given as below. abs: 1e-2 rel: 1e-4 skip: - [ in.displ, + [ + in.displ, in.displ2, in.*_imd*, ] @@ -144,6 +145,13 @@ An example of the test configuration `config.yaml` is given as below. epsilon: 1e-16 timeout: 180 +Note that if nprocs is left empty "", as in the above example, the test for a given input script will use the maximum number of procs among the log files. +For instance, for the input script examples/melt/in.melt, there are 2 log files with 1 and 4 procs. The test for in.melt will then run with 4 procs and the output is compare against the 4-proc log file. This is the typical configuration. + +If nprocs is specified explicitly, for example, nprocs: "2", this value of nprocs will be used for ALL the input scripts (except for the valgrind test). +In this case, the reference log file is again the one with the maximum number of procs, that is, 4. One example of this configuration is for KOKKOS tests where +the runs are often `mpirun -np 2 lmp -in in.melt -k on g 2` (with the CUDA backend) or `mpirun -np 2 lmp -in in.melt -k on t 2` (with the OpenMP backend). + An example of the list of example subfolders in a text file `list_subfolders1.txt` /home/codes/lammps/examples/melt 1