| commit | 49c4957a58c65219d9fe10f4a842de0c9fd21836 | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Fri, 14 Apr 2017 02:23:44 +0000 (14 04:23 +0200) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Wed, 11 Oct 2017 15:59:49 +0000 (11 17:59 +0200) | ||
| tree | b550bb4c824b843a559b3fdcb0fdfc46fe14d140 | treesnapshot (tar.gz zip) |
| parent | 525e24eee5b77c9c66a96be5749f1e3dbf613514 | commitdiff |
Cleaned up ewaldcoeff for PME-only ranks
Earlier, runner initializes all kinds of PME ranks with the initial
values of Ewald coefficients. The values passed to gmx_pmeonly were
never read - the variables are used only to store new values, which
happens when the PP rank directs the PME grid to switch grids during
load balancing.
Change-Id: Ibe581a7111239f28f874b43dc13dcc6abd025b60
Earlier, runner initializes all kinds of PME ranks with the initial
values of Ewald coefficients. The values passed to gmx_pmeonly were
never read - the variables are used only to store new values, which
happens when the PP rank directs the PME grid to switch grids during
load balancing.
Change-Id: Ibe581a7111239f28f874b43dc13dcc6abd025b60
| src/gromacs/ewald/pme-only.cpp | diffblobblamehistory | |
| src/gromacs/ewald/pme.h | diffblobblamehistory | |
| src/programs/mdrun/runner.cpp | diffblobblamehistory |