X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdrun%2Frunner.cpp;h=887e7ba7093ee95bbfddcea4cbdce399c1f34446;hb=8073360f849809b7ce4fa5b5f14ae16209ca087f;hp=3bf1d5071cd6d9d21bb56dd62ad182f178488c99;hpb=a20b5229871421b24c2a604bdd2603843f8b734f;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdrun/runner.cpp b/src/gromacs/mdrun/runner.cpp index 3bf1d5071c..887e7ba709 100644 --- a/src/gromacs/mdrun/runner.cpp +++ b/src/gromacs/mdrun/runner.cpp @@ -907,6 +907,7 @@ int Mdrunner::mdrunner() hw_opt.nthreads_tmpi); useGpuForPme = decideWhetherToUseGpusForPmeWithThreadMpi(useGpuForNonbonded, pmeTarget, + pmeFftTarget, numAvailableDevices, userGpuTaskAssignment, *hwinfo_, @@ -1012,6 +1013,7 @@ int Mdrunner::mdrunner() gpusWereDetected); useGpuForPme = decideWhetherToUseGpusForPme(useGpuForNonbonded, pmeTarget, + pmeFftTarget, userGpuTaskAssignment, *hwinfo_, *inputrec,