From 42ca95dcc19ac31c54ea1adf77eaa9df4c33603e Mon Sep 17 00:00:00 2001 From: =?utf8?q?Szil=C3=A1rd=20P=C3=A1ll?= Date: Mon, 27 Sep 2021 18:23:05 +0200 Subject: [PATCH] Fix stepWork.useGpuXHalo on search steps The value of stepWork.useGpuXHalo was not correct on search steps when mdrun always falls back to comunicating over the CPU. --- src/gromacs/mdlib/sim_util.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp index 3882768ada..13a13d23ea 100644 --- a/src/gromacs/mdlib/sim_util.cpp +++ b/src/gromacs/mdlib/sim_util.cpp @@ -987,7 +987,7 @@ static StepWorkload setupStepWorkload(const int legacyFlags, const bool rankHasGpuPmeTask = simulationWork.useGpuPme && !simulationWork.haveSeparatePmeRank; flags.useGpuPmeFReduction = flags.computeSlowForces && flags.useGpuFBufferOps && (rankHasGpuPmeTask || simulationWork.useGpuPmePpCommunication); - flags.useGpuXHalo = simulationWork.useGpuHaloExchange; + flags.useGpuXHalo = simulationWork.useGpuHaloExchange && !flags.doNeighborSearch; flags.useGpuFHalo = simulationWork.useGpuHaloExchange && flags.useGpuFBufferOps; flags.haveGpuPmeOnThisRank = rankHasGpuPmeTask && flags.computeSlowForces; flags.combineMtsForcesBeforeHaloExchange = -- 2.22.0