add dedicated config for quick regression test. allow oversubscription.

.github/workflows/quick-regression.yml

@@ -77,7 +77,7 @@ jobs:
         source linuxenv/bin/activate
         python3 tools/regression-tests/run_tests.py \
                --lmp-bin=build/lmp \
-               --config-file=tools/regression-tests/config.yaml \
+               --config-file=tools/regression-tests/config_quick.yaml \
                --examples-top-level=examples --quick --quick-branch=origin/develop --quick-max=100 --num-workers=4
 
         if [ -f input-list-${{ matrix.idx }}.txt ]

tools/regression-tests/config_quick.yaml

@@ -0,0 +1,44 @@
+---
+  lmp_binary: ""
+  nprocs: "4"
+  args: "-cite none"
+  mpiexec: "mpirun"
+  mpiexec_numproc_flag: "--host localhost:4 -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
+  skip:
+    [
+      in.displ,
+      in.displ2,
+      in.dos,
+      in.*_imd*,
+      in.bucky-plus-cnt*,
+    ]
+
+  timeout: 30
+  nugget: 1.0
+  epsilon: 1e-16
+
+

tools/regression-tests/config_serial.yaml

@@ -36,7 +36,6 @@
       in.bucky-plus-cnt*,
     ]
 
-  timeout: 30
   nugget: 1.0
   epsilon: 1e-16