From 6cd710444de56ce9cbe85647ad143091f0688572 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 6 Sep 2024 21:34:10 -0400
Subject: [PATCH] add dedicated config for quick regression test. allow
 oversubscription.

---
 .github/workflows/quick-regression.yml    |  2 +-
 tools/regression-tests/config_quick.yaml  | 44 +++++++++++++++++++++++
 tools/regression-tests/config_serial.yaml |  1 -
 3 files changed, 45 insertions(+), 2 deletions(-)
 create mode 100644 tools/regression-tests/config_quick.yaml

diff --git a/.github/workflows/quick-regression.yml b/.github/workflows/quick-regression.yml
index fe7640004f..e79a8e9737 100644
--- a/.github/workflows/quick-regression.yml
+++ b/.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 ]
diff --git a/tools/regression-tests/config_quick.yaml b/tools/regression-tests/config_quick.yaml
new file mode 100644
index 0000000000..8f2ba9aaa6
--- /dev/null
+++ b/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
+
+
diff --git a/tools/regression-tests/config_serial.yaml b/tools/regression-tests/config_serial.yaml
index fb79c301f1..1fe3f48353 100644
--- a/tools/regression-tests/config_serial.yaml
+++ b/tools/regression-tests/config_serial.yaml
@@ -36,7 +36,6 @@
       in.bucky-plus-cnt*,
     ]
 
-  timeout: 30
   nugget: 1.0
   epsilon: 1e-16