Problems with examples from /test-suite

Running EPW
1

Dear EPW team and users

To begin with, apologies if this is a silly question.

I’m triying to begin working with the EPW package, and a few days ago I installed it, (version 5.1), with the new QE 6.4 (downloaded from: https://github.com/QEF/q-e/releases/dow … e_pack.tgz). The installation process seemed to be successful, as there were no error messages, and the epw.x appeared in the bin folder.

However, when I tried to start learning the code, working on the diamond example from /examples, following the instructions from the tutorial (http://epw.org.uk/Documentation/B-dopedDiamond). Everything works well, until the step of using pp.py, when an error message shows, about the file "diam.fc", which is missing.

I also tried the Pb example from this tutorial (http://indico.ictp.it/event/8301/sessio … al/0/0.pdf), and tha same happens, pp.py asks for a lead.fc file, which was not created during the scf and phonons calculations. If I keep on with the examples, ignoring this error, and proceed to the scf/nscf calculations, when I run epw.x with the epw.in, the program crashes with a warning STOP 1, and the epw.out contains the message:

        Error in routine epw_readin (5010):
                  reading input_epw namelist

This happened for both examples. I also tried working with the input files from epw-metal and epw-base, from the test-suite directory, but the same happens.

Finally, I tried to run all the epw tests with "make run-tests-epw-parallel", to see if everything was ok, but at the end of the run I got the message:
All done. ERROR: only 0 out of 26 tests passed (47 skipped).

As I could not find any similar issue in previous posts, any help will be very appreciated.

Thanks for the assistance, and sorry for the long post
Fabio Costa

2

After I Reinstalled everything, things started to work normally. Now the tests from /test_suite were all performed successfully. It was probably something wrong that I did during the first try.

Sorry about the false warning.

3

Hello Fabio Costa,

Glad to hear that it now works for you !

Cheers,
Samuel

4

Dear EPW users,

I happened to encounter a similar problem to the one discussed in this post.
I didn’t quite get what exactly was the solution. Could someone give an advice on what might cause this kind of problem and how to remedy it?
I use quantum espresso installed on a cluster and for me reinstalling is really a last resort.

Thank you!
Best regards, Mikhail