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(parent: 11d4a64) | patch
Move dynamic pull groups and pull nthreads
authorBerk Hess <hess@kth.se>
Tue, 30 Mar 2021 20:21:13 +0000 (20:21 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 30 Mar 2021 20:21:13 +0000 (20:21 +0000)
commit42bea84075544680a2a23cbcda62b326271d7d4c
tree1560b6b2835857953345e35ab80079dd4b49fb63tree | snapshot
parent11d4a64548e12300eab6804aac24f80fe6d202f0commit | diff
Move dynamic pull groups and pull nthreads

Moved dynamic pull groups into their respective coordinates.
Set the number of threads per pull group instead of globally.
Now all thread parallel regions run on 1 thread with less than 100
local atoms.
src/gromacs/pulling/output.cpp diff | blob | history
src/gromacs/pulling/pull.cpp diff | blob | history
src/gromacs/pulling/pull_internal.h diff | blob | history
src/gromacs/pulling/pullutil.cpp diff | blob | history
Local GROMACS mirror with custom stuff