[Octopus-devel] [Octopus-notify] svn commit: r4966 - trunk/src/hamiltonian by xavier
dstrubbe at berkeley.edu
Thu Feb 19 07:09:31 WET 2009
Sorry, I didn't pay enough attention to what was going on in the
parallelization parts there. The problems I found with the ion-ion forces
were when running in serial though.
On Wed, Feb 18, 2009 at 10:18 PM, <octopus-notify at tddft.org> wrote:
> Author: xavier
> Date: Thu Feb 19 06:18:52 2009
> New Revision: 4966
> Changeset: http://www.tddft.org/trac/octopus/changeset/4966
> Bugfix: Now the epot_force uses complex values, but the MPI routines
> where still using MPI_FLOATs. This caused the forces to be wrong in
> parallel runs.
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