| commit | e27440a4923e394d1aa460edf0d46b91bc1c0bc6 | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 22 Jun 2017 17:19:24 +0000 (22 19:19 +0200) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Sat, 1 Jul 2017 07:54:33 +0000 (1 09:54 +0200) | ||
| tree | 662f9ffc5543f39545dd89035342ba8fff4fe065 | treesnapshot (tar.gz zip) |
| parent | d093bc82d773a271354afb6c0f21d6f7acaeed2e | commitdiff |
Cleaned up GPU emulation logic
It was unclear how GPU emulation was intended to work. I assume that
it should trigger construction of a GPU pairlist and the use of the
matching plain C kernel, but otherwise function like mdrun -nb cpu.
A new fatal error for an inappropriate combination is introduced.
gmx_select_rank_gpu_ids() now cannot be run if emulation is active,
because it does not make sense to run it.
Change-Id: I1ff687afa26a9daee437f72441c856b4963d2272
It was unclear how GPU emulation was intended to work. I assume that
it should trigger construction of a GPU pairlist and the use of the
matching plain C kernel, but otherwise function like mdrun -nb cpu.
A new fatal error for an inappropriate combination is introduced.
gmx_select_rank_gpu_ids() now cannot be run if emulation is active,
because it does not make sense to run it.
Change-Id: I1ff687afa26a9daee437f72441c856b4963d2272