X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?p=alexxy%2Fgromacs.git;a=blobdiff_plain;f=src%2Fgromacs%2Fmdrun%2Frunner.cpp;fp=src%2Fgromacs%2Fmdrun%2Frunner.cpp;h=6e245a2df99f4c3d0b2cc0786a6c6626f9af2637;hp=8fc6d89a721e29cbc1980bf169c54bbe71f3b71c;hb=8e4184a2387fb1b36361b07c9c3df40076d0250d;hpb=4ab77f8b8162e37a89f7bdbd89709528326d7c26 diff --git a/src/gromacs/mdrun/runner.cpp b/src/gromacs/mdrun/runner.cpp index 8fc6d89a72..6e245a2df9 100644 --- a/src/gromacs/mdrun/runner.cpp +++ b/src/gromacs/mdrun/runner.cpp @@ -1996,7 +1996,7 @@ int Mdrunner::mdrunner() makeBondedLinks(cr->dd, mtop, fr->atomInfoForEachMoleculeBlock); } - if (runScheduleWork.simulationWork.useGpuBufferOps) + if (runScheduleWork.simulationWork.useGpuFBufferOps) { fr->gpuForceReduction[gmx::AtomLocality::Local] = std::make_unique( deviceStreamManager->context(), @@ -2011,7 +2011,7 @@ int Mdrunner::mdrunner() std::unique_ptr stateGpu; if (gpusWereDetected && ((runScheduleWork.simulationWork.useGpuPme && thisRankHasDuty(cr, DUTY_PME)) - || runScheduleWork.simulationWork.useGpuBufferOps)) + || runScheduleWork.simulationWork.useGpuXBufferOps)) { GpuApiCallBehavior transferKind = (inputrec->eI == IntegrationAlgorithm::MD && !doRerun && !useModularSimulator)