X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdrun%2Frunner.cpp;h=423a90905cbb3eb86779f38271287c9ee0df3912;hb=2f224c7322e2e2e948590e1e73c82ff2b3ed568f;hp=8d19c598c2a03a6baf8aa6a3b940af7ea1badd16;hpb=c7d30ad9d5ee494c7c4f1c3c9a9238c4984a9e26;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdrun/runner.cpp b/src/gromacs/mdrun/runner.cpp index 8d19c598c2..423a90905c 100644 --- a/src/gromacs/mdrun/runner.cpp +++ b/src/gromacs/mdrun/runner.cpp @@ -815,8 +815,8 @@ int Mdrunner::mdrunner() gpuAccelerationOfNonbondedIsUseful(mdlog, *inputrec, GMX_THREAD_MPI), hw_opt.nthreads_tmpi); useGpuForPme = decideWhetherToUseGpusForPmeWithThreadMpi( - useGpuForNonbonded, pmeTarget, numDevicesToUse, userGpuTaskAssignment, *hwinfo_, - *inputrec, hw_opt.nthreads_tmpi, domdecOptions.numPmeRanks); + useGpuForNonbonded, pmeTarget, pmeFftTarget, numDevicesToUse, userGpuTaskAssignment, + *hwinfo_, *inputrec, hw_opt.nthreads_tmpi, domdecOptions.numPmeRanks); } GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR @@ -891,8 +891,8 @@ int Mdrunner::mdrunner() nonbondedTarget, userGpuTaskAssignment, emulateGpuNonbonded, canUseGpuForNonbonded, gpuAccelerationOfNonbondedIsUseful(mdlog, *inputrec, !GMX_THREAD_MPI), gpusWereDetected); useGpuForPme = decideWhetherToUseGpusForPme( - useGpuForNonbonded, pmeTarget, userGpuTaskAssignment, *hwinfo_, *inputrec, - cr->sizeOfDefaultCommunicator, domdecOptions.numPmeRanks, gpusWereDetected); + useGpuForNonbonded, pmeTarget, pmeFftTarget, userGpuTaskAssignment, *hwinfo_, + *inputrec, cr->sizeOfDefaultCommunicator, domdecOptions.numPmeRanks, gpusWereDetected); useGpuForBonded = decideWhetherToUseGpusForBonded(useGpuForNonbonded, useGpuForPme, bondedTarget, *inputrec, mtop, domdecOptions.numPmeRanks, gpusWereDetected);