Remove duplicating pointers to device buffers in GPU listed forces
authorArtem Zhmurov <zhmurov@gmail.com>
Mon, 7 Jun 2021 10:53:30 +0000 (13:53 +0300)
committerArtem Zhmurov <zhmurov@gmail.com>
Mon, 7 Jun 2021 12:00:15 +0000 (12:00 +0000)
commit40bcedcdb9abb1dcbc7e5f873b9d6462c361f9e6
treee0a93f7d0dd8b06ba5a84fbfe2e224b6be68d094
parent6cd214d6e05ed5c4fb98ccf62f11261799d88d5e
Remove duplicating pointers to device buffers in GPU listed forces

XYZQ, forces and shift forces are saved in both ListedForces class and
in BondedCudaKernelParameters class. This removes the later and
make it so the buffers are passed directly to the kernel.
src/gromacs/listed_forces/listed_forces_gpu_impl.cu
src/gromacs/listed_forces/listed_forces_gpu_impl.h
src/gromacs/listed_forces/listed_forces_gpu_internal.cu