a problem on running EPW-5.4.1

Post here questions linked with issue while running the EPW code

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zuiaixiaomage
Posts: 2
Joined: Sat Jan 29, 2022 2:45 am
Affiliation: Harbin University of Science and Te

a problem on running EPW-5.4.1

Post by zuiaixiaomage »

Dear users and developers:
I notice that the latest version of EPW (5.4 .1) which can be downloaded and installed under QE-7.0. I have downloaded and installed it successfully. Furthermore, I tested the example of MgB2 under the file qe-7.0/EPW/examples/mgb2/epw. In epw-scf and epw-nscf, QE run normally. However, when I run epw, the output lock in MgB2.wout.The test keeps running over two days without any outputs.

Even stranger, I have noticed if both N and n were set to 1, the epw can run normally, but is very slow. Can you tell me why?
Sincerely
hlee
Posts: 415
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: a problem on running EPW-5.4.1

Post by hlee »

Dear zuiaixiaomage:

Currently, we can use the serial version of Wannier90 (W90) in EPW since the library mode of W90 is not parallelized in W90 and EPW uses W90 in library mode.
So you need to build the serial version of W90.

You can check it in make.inc in the W90 directory.

Sincerely,

H. Lee
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