| commit | c18a7c9a667b206b1c59d7189d20f89168869873 | |
| author | Artem Zhmurov <zhmurov@gmail.com> | |
| Tue, 12 Nov 2019 10:54:35 +0000 (12 11:54 +0100) | ||
| committer | Artem Zhmurov <zhmurov@gmail.com> | |
| Thu, 28 Nov 2019 15:02:26 +0000 (28 16:02 +0100) | ||
| tree | 67d5440354331daa887dc71f1e86d3c02cdcdd19 | treesnapshot (tar.gz zip) |
| parent | d0509365328604985ec1d261599b2740954f79ab | commitdiff |
Fix pressure coupling with GPU update
This fixes the pressure coupling Parrinello-Rahman and
Berendsen schemes when Update is offloaded to the GPU.
The coordinate scaling is performed on GPU. The PBC
data is also copied to device when periodic box is
updated by the pressure coupling.
Fixes #3182.
Change-Id: I57226c9f0fa249cb018d38b653a6ecb3ffd9c7c2
This fixes the pressure coupling Parrinello-Rahman and
Berendsen schemes when Update is offloaded to the GPU.
The coordinate scaling is performed on GPU. The PBC
data is also copied to device when periodic box is
updated by the pressure coupling.
Fixes #3182.
Change-Id: I57226c9f0fa249cb018d38b653a6ecb3ffd9c7c2