Epw via compilation on a cluster not connected to internet.

Compiling EPW
1

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,

2

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

3

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?

4

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I think that some parts of these tutorials are outdated, but certainly you can use the recent version of EPW, for instance EPW v5.3.1 included in QE v6.7 (https://gitlab.com/QEF/q-e/-/releases), for the study of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