Dear Daniel: Regarding this issue, you could try the following recent merge request:
https://gitlab.com/QEF/q-e/-/merge_requests/1176 Sincerely, Hyungjun Lee UT Austin On Mon, Nov 16, 2020 at 1:08 PM Daniel Marchand <t-dmarch...@microsoft.com> wrote: > Hi Everyone, > > > > We’re having some trouble running pw2wannier on a very large system as it > is running very slow. To give some comparison, we are able to finish the > nscf calculation in ~4hours, while pw2wannier has not finished the first > MMN: iknum step even after ~8 hours of runtime. It seems like in theory > pw2wannier should be parallelizable but we found poor performance beyond a > single node. > > > > Is there anything we can do to help speed up the process? Parallelization > steps to try out or common pitfalls that we could avoid? > > > > Best, > > > > Daniel > _______________________________________________ > Wannier mailing list > Wannier@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/wannier >
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