Fixes post submit broken by 05f02ab82
authorPascal Merz <pascal.merz@me.com>
Wed, 2 Dec 2020 08:52:40 +0000 (01:52 -0700)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 2 Dec 2020 09:35:19 +0000 (09:35 +0000)
src/programs/mdrun/tests/exactcontinuation.cpp

index ed70e3d6635cefb9a5aa1694f9cf8eb6122cfed5..8308c3e00d240f59dd3f1af1ef0ea3cc033ab11a 100644 (file)
@@ -361,8 +361,11 @@ TEST_P(MdrunNoAppendContinuationIsExact, WithinTolerances)
     const bool isTCouplingCompatibleWithModularSimulator =
             (temperatureCoupling == "no" || temperatureCoupling == "v-rescale"
              || temperatureCoupling == "berendsen");
+    // GPU update is not compatible with modular simulator
+    const bool isGpuUpdateRequested = (getenv("GMX_FORCE_UPDATE_DEFAULT_GPU") != nullptr);
     if (integrator == "md-vv" && pressureCoupling == "parrinello-rahman"
-        && (isModularSimulatorExplicitlyDisabled || !isTCouplingCompatibleWithModularSimulator))
+        && (isModularSimulatorExplicitlyDisabled || !isTCouplingCompatibleWithModularSimulator
+            || isGpuUpdateRequested))
     {
         // Under md-vv, Parrinello-Rahman is only implemented for the modular simulator
         return;