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a problem on running EPW-5.4.1

Posted: Sat Jan 29, 2022 3:03 am
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

Re: a problem on running EPW-5.4.1

Posted: Mon Jan 31, 2022 4:48 pm
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