Good morning,
I am using QE6.5. I believe pw.x is crashing, but I cannot find the CRASH file
afterwards and there is not crash information in the .out file, it just stops.
I've pasted the output below.
Program PWSCF v.6.5 starts on 4Nov2020 at 16:25:44
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL http://www.quantum-espresso.org";,
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 32 processors
MPI processes distributed on 2 nodes
R & G space division: proc/nbgrp/npool/nimage = 32
Reading input from AlNGaNSuperlatticeWZScf.in
Warning: card &IONS ignored
Warning: card / ignored
Warning: card &CELL ignored
Warning: card / ignored
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Message from routine read_upf::
Pseudo file Ga.pbe-dn-kjpaw_psl.1.0.0.UPF has been fixed on the fly.
To avoid this message in the future, permanently fix
your pseudo files following these instructions:
https://gitlab.com/QEF/q-e/blob/master/upftools/how_to_fix_upf.md
-Brad
--------------------------------------------------------
Bradly Baer
Graduate Research Assistant, Walker Lab
Interdisciplinary Materials Science
Vanderbilt University
________________________________
From: users <[email protected]> on behalf of Paolo
Giannozzi <[email protected]>
Sent: Thursday, November 5, 2020 2:33 AM
To: Quantum ESPRESSO users Forum <[email protected]>
Subject: Re: [QE-users] Running efficiently on multiple nodes
On Wed, Nov 4, 2020 at 11:28 PM Baer, Bradly
<[email protected]<mailto:[email protected]>> wrote:
Now that I have two nodes, the script for a single node results in a crash
shortly after reading in the pseudopotentials.
which version of QE are you using, and which crash do you obtain, with which
executable?
Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
