| commit | 747c371cb69bb5eb226aaaadf8f209eb3e2855aa | |
| author | Artem Zhmurov <zhmurov@gmail.com> | |
| Thu, 27 Jun 2019 10:04:23 +0000 (27 12:04 +0200) | ||
| committer | Artem Zhmurov <zhmurov@gmail.com> | |
| Wed, 3 Jul 2019 11:01:30 +0000 (3 13:01 +0200) | ||
| tree | 79177ec7b68e5e5a6d4d34627265b8897395b7bb | treesnapshot (tar.gz zip) |
| parent | 6afe4d46c9cbd50180fccfd3ca512a09bb8b4dd8 | commitdiff |
Memory management fixes in CUDA version of LINCS
This fix is to prepare LINCS to run with DD.
1. The masses array size depends on the current number of atoms
rather than on the number of constraints.
2. The size of other arrays should be based on the number of
threads launched on the GPU, which include padding added to
align coupled constraints with the thread blocks. Also
renamed variable according to conventions.
Refs #2885 and #2888
Change-Id: I20cb53ebc6da6a1ff2ee1e385613b27c4a01d11f
This fix is to prepare LINCS to run with DD.
1. The masses array size depends on the current number of atoms
rather than on the number of constraints.
2. The size of other arrays should be based on the number of
threads launched on the GPU, which include padding added to
align coupled constraints with the thread blocks. Also
renamed variable according to conventions.
Refs #2885 and #2888
Change-Id: I20cb53ebc6da6a1ff2ee1e385613b27c4a01d11f
| src/gromacs/mdlib/lincs_cuda_impl.cu | diffblobblamehistory | |
| src/gromacs/mdlib/lincs_cuda_impl.h | diffblobblamehistory |