Bug #1317
mdrun configured with thread-mpi without openmp runs a single thread
Description
By default mdrun compiled without openmp uses 1 core, whereas it should use all cores.
Associated revisions
History
#1 Updated by Berk Hess over 5 years ago
- Status changed from New to Resolved
- % Done changed from 0 to 100
Applied in changeset f33670dab29ce7663ddb2be3597d7ef5c59f84d9.
#2 Updated by Rossen Apostolov about 5 years ago
- Status changed from Resolved to Closed
mdrun without OpenMP with thread-MPI now uses all cores
With the Verlet scheme, mdrun compiled without OpenMP would
often run on a single MPI-thread only.
Fixes #1317
Change-Id: I8fc43fe933ba23047f0ee9368ad9105cfc62eb4a