Disable GPU update in the presence of frozen atoms
authorAndrey Alekseenko <al42and@gmail.com>
Wed, 10 Mar 2021 05:55:30 +0000 (05:55 +0000)
committerArtem Zhmurov <zhmurov@gmail.com>
Wed, 10 Mar 2021 05:55:30 +0000 (05:55 +0000)
commit9550c3e8564068c86a0f34baee0f578e8ce6d5a9
tree4df813ec0541699ca5758d038fc5c7f752f81e90
parent850429f3ebe34d27dabed6d8c31c08968befd1f5
Disable GPU update in the presence of frozen atoms

There is a known bug (Issue #3920) affecting GPU update when frozen
atoms are present. While the bug is being resolved, we mark such
configuration as not allowed.

Refs #3920
src/gromacs/mdrun/runner.cpp
src/gromacs/taskassignment/decidegpuusage.cpp
src/gromacs/taskassignment/decidegpuusage.h