diff --git a/tools/regression-tests/config_kokkos.yaml b/tools/regression-tests/config_kokkos.yaml new file mode 100644 index 0000000000..8c94e04071 --- /dev/null +++ b/tools/regression-tests/config_kokkos.yaml @@ -0,0 +1,33 @@ +--- + lmp_binary: "" + nprocs: "4" + args: "-cite none -k on g 1 -sf kk -pk kokkos newton on neigh half" + mpiexec: "mpirun" + mpiexec_numproc_flag: "-np" + tolerance: + PotEng: + abs: 1e-4 + rel: 1e-7 + TotEng: + abs: 1e-4 + rel: 1e-7 + Press: + abs: 1e-4 + rel: 1e-7 + Temp: + abs: 1e-4 + rel: 1e-7 + E_vdwl: + abs: 1e-3 + rel: 1e-7 + overrides: + in.rigid.tnr: + Temp: + abs: 1e-3 + rel: 1e-5 + Press: + abs: 1e-2 + rel: 1e-4 + + nugget: 1.0 + epsilon: 1e-16