[ase-users] disabling parallel I/O

[Noam Bernstein]

Hi - is there any way to disable the automatically parallelized I/O in ASE (ideally on a per-call basis)?  I’d like to read a trajectory file into a parallel program, have each process operate on a subset of the configurations, and write its results to a separate file for each input configuration.  The simplest way to code this is to have the parallel input in ase.io <http://ase.io/>.read, but not in ase.io <http://ase.io/>.write.  Is there any way to achieve that?

The documentation seems to imply that if mpi4py is available it’ll be used automagically.

					thanks,
					Noam
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20170627/8d42280d/attachment.html>