Epw via compilation on a cluster not connected to internet.

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Mukhtar
Posts: 1
Joined: Thu Apr 04, 2019 12:13 pm
Affiliation:

Epw via compilation on a cluster not connected to internet.

Post by Mukhtar »

Dear all
I am having issues compiling epw on our cluster thats not connected to the net only intranet.
As such it cant download extra packages when installation is on going.

1. Downloaded and extracted both espresso and Wannier90
2. Moved wannier folder inside the QE folder
3. Inside the QE folder, I typed ./configure
4. Inside the QE folder, I typed make epw

This got me stuck in a loop of uncompress-w90, i had to cancel the process

Are the above steps correct? Is there a way out of this loop?
Keeping in mind that my cluster is offline.
Thank you,

sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Epw via compilation on a cluster not connected to intern

Post by sponce »

Hello,

1) download and untar q-e
2) download wannier v3 named "v3.0.0.tar.gz"
3) move the file v3.0.0.tar.gz into QE/archive
4) Move all to your cluster
5) ./configure
6) make epw



PS: Start from scratch or do a "make distclean" before doing all the steps

Best,
Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com

maxwhite
Posts: 8
Joined: Sat Feb 06, 2021 7:18 am
Affiliation: CIOMP

Re: Epw via compilation on a cluster not connected to internet.

Post by maxwhite »

Dir Sir:

I found example of GaN in "Running EPW on polar wurtzite GaN" https://docs.epw-code.org/doc/GaN.html
and "GaN BTE&SERTA calculations" https://docs.epw-code.org/doc/GaN-II.html
and I notice there is a git-version of EPW in the tutorial

I am a biginner of EPW can you show me the write version of EPW suitable for GaN BTE calculations?

hlee
Posts: 415
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: Epw via compilation on a cluster not connected to internet.

Post by hlee »

Dear maxwhite:

I think that some parts of these tutorials are outdated, but certainly you can use the recent version of EPW, for instance EPW v5.3.1 included in QE v6.7 (https://gitlab.com/QEF/q-e/-/releases), for the study of these examples.
Regarding the input files compatible with the recent version, you should check the input files in the directory of EPW/examples/gan/ and test-suite/epw_mob_polar in the corresponding QE package.

Sincerely,

H. Lee

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