cuda_set_cacheconfig();
}
-void gpu_upload_shiftvec(NbnxmGpu* nb, const nbnxn_atomdata_t* nbatom)
-{
- NBAtomData* adat = nb->atdat;
- const DeviceStream& localStream = *nb->deviceStreams[InteractionLocality::Local];
-
- /* only if we have a dynamic box */
- if (nbatom->bDynamicBox || !adat->shiftVecUploaded)
- {
- static_assert(sizeof(adat->shiftVec[0]) == sizeof(nbatom->shift_vec[0]),
- "Sizes of host- and device-side shift vectors should be the same.");
- copyToDeviceBuffer(&adat->shiftVec,
- reinterpret_cast<const Float3*>(nbatom->shift_vec.data()),
- 0,
- SHIFTS,
- localStream,
- GpuApiCallBehavior::Async,
- nullptr);
- adat->shiftVecUploaded = true;
- }
-}
-
void gpu_free(NbnxmGpu* nb)
{
if (nb == nullptr)