biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
Merge release-2021 into master
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
runner.cpp
diff --git
a/src/gromacs/mdrun/runner.cpp
b/src/gromacs/mdrun/runner.cpp
index 3bf1d5071cd6d9d21bb56dd62ad182f178488c99..887e7ba7093ee95bbfddcea4cbdce399c1f34446 100644
(file)
--- a/
src/gromacs/mdrun/runner.cpp
+++ b/
src/gromacs/mdrun/runner.cpp
@@
-907,6
+907,7
@@
int Mdrunner::mdrunner()
hw_opt.nthreads_tmpi);
useGpuForPme = decideWhetherToUseGpusForPmeWithThreadMpi(useGpuForNonbonded,
pmeTarget,
hw_opt.nthreads_tmpi);
useGpuForPme = decideWhetherToUseGpusForPmeWithThreadMpi(useGpuForNonbonded,
pmeTarget,
+ pmeFftTarget,
numAvailableDevices,
userGpuTaskAssignment,
*hwinfo_,
numAvailableDevices,
userGpuTaskAssignment,
*hwinfo_,
@@
-1012,6
+1013,7
@@
int Mdrunner::mdrunner()
gpusWereDetected);
useGpuForPme = decideWhetherToUseGpusForPme(useGpuForNonbonded,
pmeTarget,
gpusWereDetected);
useGpuForPme = decideWhetherToUseGpusForPme(useGpuForNonbonded,
pmeTarget,
+ pmeFftTarget,
userGpuTaskAssignment,
*hwinfo_,
*inputrec,
userGpuTaskAssignment,
*hwinfo_,
*inputrec,