Do not overallocate shiftVec and fshifts buffers in OpenCL
authorArtem Zhmurov <zhmurov@gmail.com>
Mon, 15 Mar 2021 09:12:04 +0000 (12:12 +0300)
committerAndrey Alekseenko <al42and@gmail.com>
Mon, 15 Mar 2021 10:28:44 +0000 (10:28 +0000)
commit5c2ec3ab757d7612e80b1a1eaddb38bc1046b4bc
treebf9ace81d27a5e8e8739070c583de4fc274830ce
parente3efa2ecb756f257c8d44147ae30c7de6d9c05d5
Do not overallocate shiftVec and fshifts buffers in OpenCL

When changing buffers from flat float format to Float3,
the sizes of the shiftVec and fshift buffers were not updated
in OpenCL NBNXM data management, which lead to the buffers being
overallocated. This fixes the issue.

Introduced in c66827166fc9099ecd1a4a2f7080558df70bf529
src/gromacs/nbnxm/opencl/nbnxm_ocl_data_mgmt.cpp