*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2011,2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2011,2012,2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
// If the user specified the number of ranks, then we must
// respect that, but in default mode, we need to allow for
// the number of GPUs to choose the number of ranks.
-
+ auto canUseGpuForNonbonded = buildSupportsNonbondedOnGpu(nullptr);
useGpuForNonbonded = decideWhetherToUseGpusForNonbondedWithThreadMpi
(nonbondedTarget, gpuIdsToUse, userGpuTaskAssignment, emulateGpuNonbonded,
+ canUseGpuForNonbonded,
inputrec->cutoff_scheme == ecutsVERLET,
gpuAccelerationOfNonbondedIsUseful(mdlog, inputrec, GMX_THREAD_MPI),
hw_opt.nthreads_tmpi);
// different nodes, which is the user's responsibilty to
// handle. If unsuitable, we will notice that during task
// assignment.
- bool gpusWereDetected = hwinfo->ngpu_compatible_tot > 0;
- bool usingVerletScheme = inputrec->cutoff_scheme == ecutsVERLET;
+ bool gpusWereDetected = hwinfo->ngpu_compatible_tot > 0;
+ bool usingVerletScheme = inputrec->cutoff_scheme == ecutsVERLET;
+ auto canUseGpuForNonbonded = buildSupportsNonbondedOnGpu(nullptr);
useGpuForNonbonded = decideWhetherToUseGpusForNonbonded(nonbondedTarget, userGpuTaskAssignment,
- emulateGpuNonbonded, usingVerletScheme,
+ emulateGpuNonbonded,
+ canUseGpuForNonbonded,
+ usingVerletScheme,
gpuAccelerationOfNonbondedIsUseful(mdlog, inputrec, !GMX_THREAD_MPI),
gpusWereDetected);
auto canUseGpuForPme = pme_gpu_supports_build(*hwinfo, nullptr) && pme_gpu_supports_input(*inputrec, mtop, nullptr);