Avoid division by zero is pruning part calculation

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_tuning.cpp

diff --git a/src/gromacs/mdlib/nbnxn_tuning.cpp b/src/gromacs/mdlib/nbnxn_tuning.cpp
index 58d48e33cd8ef5d5ac97756b790d5ea676d05808..6b616c6ee0f3344e7d4d032a5eb14773f9693364 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_tuning.cpp
+++ b/src/gromacs/mdlib/nbnxn_tuning.cpp
@@ -488,6 +488,10 @@ void setupDynamicPairlistPruning(FILE                      *fplog,
              * rolling pruning interval slightly shorter than nstlistTune,
              * thus giving correct results, but a slightly lower efficiency.
              */
+            GMX_RELEASE_ASSERT(listParams->nstlistPrune >= c_nbnxnGpuRollingListPruningInterval,
+                               ( "With dynamic list pruning on GPUs pruning frequency must be at least as large as the rolling pruning interval (" +
+                                 std::to_string(c_nbnxnGpuRollingListPruningInterval) +
+                                 ").").c_str() );
             listParams->numRollingParts = listParams->nstlistPrune/c_nbnxnGpuRollingListPruningInterval;
         }
         else