From: Alan Gray <alangray3@gmail.com>
Date: Fri, 16 Oct 2020 11:15:41 +0000 (+0000)
Subject: Fix for force copy dependency of GPU force reduction
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=0814bac423739a592d5cb7d8b8e4aea846c50eaf;p=alexxy%2Fgromacs.git

Fix for force copy dependency of GPU force reduction

Fixes issue #3729
---

diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp
index 47b6baac1b..e788c6b66b 100644
--- a/src/gromacs/mdlib/sim_util.cpp
+++ b/src/gromacs/mdlib/sim_util.cpp
@@ -1089,8 +1089,10 @@ static void setupGpuForceReductions(gmx::MdrunScheduleWorkload* runScheduleWork,
     if ((runScheduleWork->domainWork.haveCpuLocalForceWork || havePPDomainDecomposition(cr))
         && !runScheduleWork->simulationWork.useGpuHaloExchange)
     {
+        auto forcesReadyLocality = havePPDomainDecomposition(cr) ? AtomLocality::Local : AtomLocality::All;
+        const bool useGpuForceBufferOps = true;
         fr->gpuForceReduction[gmx::AtomLocality::Local]->addDependency(
-                stateGpu->getForcesReadyOnDeviceEvent(AtomLocality::Local, true));
+                stateGpu->getForcesReadyOnDeviceEvent(forcesReadyLocality, useGpuForceBufferOps));
     }
 
     if (runScheduleWork->simulationWork.useGpuHaloExchange)