Clear device force buffer if it was reallocated
authorArtem Zhmurov <zhmurov@gmail.com>
Thu, 28 Nov 2019 16:41:43 +0000 (17:41 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 28 Nov 2019 20:48:15 +0000 (21:48 +0100)
commitc97789fa23c05eabde93a6bacd07fe7d86605878
treeaa45d3c8eb19b819d645ae748d0033037c0872e4
parent2780086f11642e5712763051a8afe622cfb3cf5c
Clear device force buffer if it was reallocated

The force buffer on the device is assumed to be clear at the start of
the step. This was not ensured if the buffer was realocated after e.g.
domain decomposition.

Change-Id: I4677f71edc9479d972a6d9471b8cbe2c377f8827
src/gromacs/mdtypes/state_propagator_data_gpu.h
src/gromacs/mdtypes/state_propagator_data_gpu_impl.h
src/gromacs/mdtypes/state_propagator_data_gpu_impl_gpu.cpp
src/gromacs/nbnxm/cuda/nbnxm_cuda.cu