[Wannier] MPI

[Mostofi, Arash]

Dear Haicheng,
Quantum transport is not parallelised yet - though it would be relatively straightforward to do so. It’s on the list of things to do for a future release. If anyone is interested in carrying out the coding themselves and contribute it to the code, please get in touch with me and I’d be happy to advise.
Best wishes,
Arash

—
Arash Mostofi — www.mostofigroup.org<http://www.mostofigroup.org>
Director, CDT in Theory and Simulation of Materials
Director, Thomas Young Centre @Imperial
Imperial College London

On 25 Apr 2017, at 11:49, Haichang Lu <hl432 at cam.ac.uk<mailto:hl432 at cam.ac.uk>> wrote:

Dear all,
I found that serial calculation of wannier90 might be time consuming. However, wannier.x is serial executable. I wonder if there is way of calculate transport properties (quantum not boltzmann) using MPI executable file?

--
Haichang Lu
Department of Engineering , University of Cambridge

Centre for Advanced Photonics and Electronics,9 JJ Thomson Ave, Cambridge
CB3 0FA, United Kingdom

St. Edmund's college
Tel: +44(0) 7778 392573
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