| commit | 4a4dc78e0c059ed662ae29331fd4a6c2ad6278a2 | |
| author | Erik Lindahl <erik@kth.se> | |
| Sun, 31 Dec 2017 16:24:23 +0000 (31 17:24 +0100) | ||
| committer | Erik Lindahl <erik.lindahl@gmail.com> | |
| Wed, 3 Jan 2018 12:26:05 +0000 (3 13:26 +0100) | ||
| tree | dc7013355da956e107a3a87fab1bfce9e46438af | treesnapshot (tar.gz zip) |
| parent | 2873d40fe9e91efdb98a06bc5ad2e9b3a000d850 | commitdiff |
Don't allow multiple energy groups for GPU runs
Exit with a fatal error instead of only warning, since the
latter leads to writing data for energy groups that
is incorrect to the energy file.
Fixes #1822.
Change-Id: I34ccb10bba6d6e1350283e34ebc908c6f830baab
Exit with a fatal error instead of only warning, since the
latter leads to writing data for energy groups that
is incorrect to the energy file.
Fixes #1822.
Change-Id: I34ccb10bba6d6e1350283e34ebc908c6f830baab
| src/gromacs/mdlib/nbnxn_atomdata.cpp | diffblobblamehistory | |
| src/gromacs/taskassignment/decidegpuusage.cpp | diffblobblamehistory | |
| src/programs/mdrun/runner.cpp | diffblobblamehistory |