[Wannier] Query about parallelization issue
jonathan.yates at materials.ox.ac.uk
Fri Aug 10 11:26:07 CEST 2018
> On 10 Aug 2018, at 07:54, Anindya Bose <anindya at iiita.ac.in> wrote:
> Dear Experts,
> If I calculate my nscf using 4 processor/4 pool and my wannier calculations using 4 processors only then will it create any convergence issue in wannier output band structure.Can it cause any kind of mismatch or erroneous result.Please let me know.
The development version of Wannier90 will work in serial and parallel. The results will be independent of the number of cores used. If you find anything different to this, please report it as a bug.
The last stable release is serial only for the disentanglement and wannierisation steps.
More information about the Wannier