[Pw_forum] MPI error and wf_collect

Paolo Giannozzi giannozz at nest.sns.it
Tue Jun 5 16:56:53 CEST 2007


On Jun 5, 2007, at 15:38 , Cyrille Barreteau wrote:

> You will see that *.igk_nproc *.wfc_nproc (nproc=1,2,3...64) files
> do exist... together with a lot of others..
> These files do not exist in the case of wf_collect=.false.

sure they do. The *igkN files are removed at the end of the
calculation, irrespective of wf_collect. The *wfcN files are
removed if wf_collect=.true. after the wave function is collected
to a single (per k-point) file ; they are left where they are (i.e. in
the directory containing the *.save/ directory) otherwise.
Of course, assuming that the code does not crash before
the end of execution.

Paolo
---
Paolo Giannozzi, Democritos and University of Udine, Italy





More information about the users mailing list