| commit | 8726ce71ee350d1e278fda1414cccd839c875daa | |
| author | Pascal Merz <pascal.merz@me.com> | |
| Mon, 2 Mar 2020 23:24:54 +0000 (2 16:24 -0700) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Mon, 6 Apr 2020 05:35:08 +0000 (6 05:35 +0000) | ||
| tree | 0643d44cb24b6480aeaeff2ce9b9950e110613c9 | treesnapshot (tar.gz zip) |
| parent | c4eb0fc0251ac864f9756cba9f37154de2818d1d | commitdiff |
Make bonded interaction checking more robust (modular simulator)
Choice on whether the number of bonded interactions should be checked
during calls to the ComputeGlobalsElement used to be done at scheduling
time. This works in the current setup, as domain decomposition (which
might require such a check) is always done right before scheduling.
As this check is requested through callbacks, it is however more robust
to decide whether to perform this test at run time, not at scheduling
time. This commit switches to this more robust behavior.
Change-Id: I2c54bf0152e185c10d582cf0f06ecfc911c6c68b
Choice on whether the number of bonded interactions should be checked
during calls to the ComputeGlobalsElement used to be done at scheduling
time. This works in the current setup, as domain decomposition (which
might require such a check) is always done right before scheduling.
As this check is requested through callbacks, it is however more robust
to decide whether to perform this test at run time, not at scheduling
time. This commit switches to this more robust behavior.
Change-Id: I2c54bf0152e185c10d582cf0f06ecfc911c6c68b
| src/gromacs/modularsimulator/computeglobalselement.cpp | diffblobblamehistory |