}
}
-void gpu_launch_cpyback(NbnxmGpu* nb,
- nbnxn_atomdata_t* nbatom,
- const gmx::StepWorkload& stepWork,
- const AtomLocality atomLocality)
-{
- GMX_ASSERT(nb, "Need a valid nbnxn_gpu object");
-
- /* determine interaction locality from atom locality */
- const InteractionLocality iloc = gpuAtomToInteractionLocality(atomLocality);
- GMX_ASSERT(iloc == InteractionLocality::Local
- || (iloc == InteractionLocality::NonLocal && nb->bNonLocalStreamDoneMarked == false),
- "Non-local stream is indicating that the copy back event is enqueued at the "
- "beginning of the copy back function.");
-
- /* extract the data */
- NBAtomData* adat = nb->atdat;
- Nbnxm::GpuTimers* timers = nb->timers;
- bool bDoTime = nb->bDoTime;
- const DeviceStream& deviceStream = *nb->deviceStreams[iloc];
-
- /* don't launch non-local copy-back if there was no non-local work to do */
- if ((iloc == InteractionLocality::NonLocal) && !haveGpuShortRangeWork(*nb, iloc))
- {
- nb->bNonLocalStreamDoneMarked = false;
- return;
- }
-
- /* local/nonlocal offset and length used for xq and f */
- auto atomsRange = getGpuAtomRange(adat, atomLocality);
-
- /* beginning of timed D2H section */
- if (bDoTime)
- {
- timers->xf[atomLocality].nb_d2h.openTimingRegion(deviceStream);
- }
-
- /* With DD the local D2H transfer can only start after the non-local
- kernel has finished. */
- if (iloc == InteractionLocality::Local && nb->bNonLocalStreamDoneMarked)
- {
- nb->nonlocal_done.enqueueWaitEvent(deviceStream);
- nb->bNonLocalStreamDoneMarked = false;
- }
-
- /* DtoH f
- * Skip if buffer ops / reduction is offloaded to the GPU.
- */
- if (!stepWork.useGpuFBufferOps)
- {
- static_assert(
- sizeof(adat->f[0]) == sizeof(Float3),
- "The size of the force buffer element should be equal to the size of float3.");
- copyFromDeviceBuffer(reinterpret_cast<Float3*>(nbatom->out[0].f.data()) + atomsRange.begin(),
- &adat->f,
- atomsRange.begin(),
- atomsRange.size(),
- deviceStream,
- GpuApiCallBehavior::Async,
- nullptr);
- }
-
- /* After the non-local D2H is launched the nonlocal_done event can be
- recorded which signals that the local D2H can proceed. This event is not
- placed after the non-local kernel because we want the non-local data
- back first. */
- if (iloc == InteractionLocality::NonLocal)
- {
- nb->nonlocal_done.markEvent(deviceStream);
- nb->bNonLocalStreamDoneMarked = true;
- }
-
- /* only transfer energies in the local stream */
- if (iloc == InteractionLocality::Local)
- {
- /* DtoH fshift when virial is needed */
- if (stepWork.computeVirial)
- {
- static_assert(sizeof(nb->nbst.fShift[0]) == sizeof(adat->fShift[0]),
- "Sizes of host- and device-side shift vectors should be the same.");
- copyFromDeviceBuffer(
- nb->nbst.fShift, &adat->fShift, 0, SHIFTS, deviceStream, GpuApiCallBehavior::Async, nullptr);
- }
-
- /* DtoH energies */
- if (stepWork.computeEnergy)
- {
- static_assert(sizeof(nb->nbst.eLJ[0]) == sizeof(adat->eLJ[0]),
- "Sizes of host- and device-side LJ energy terms should be the same.");
- copyFromDeviceBuffer(
- nb->nbst.eLJ, &adat->eLJ, 0, 1, deviceStream, GpuApiCallBehavior::Async, nullptr);
- static_assert(sizeof(nb->nbst.eElec[0]) == sizeof(adat->eElec[0]),
- "Sizes of host- and device-side electrostatic energy terms should be the "
- "same.");
- copyFromDeviceBuffer(
- nb->nbst.eElec, &adat->eElec, 0, 1, deviceStream, GpuApiCallBehavior::Async, nullptr);
- }
- }
-
- if (bDoTime)
- {
- timers->xf[atomLocality].nb_d2h.closeTimingRegion(deviceStream);
- }
-}
-
void cuda_set_cacheconfig()
{
cudaError_t stat;