[QE-users] Error in QE : error message for pseudopotential (withnot a valid URI)
Pietro Delugas
pdelugas at sissa.it
Mon Jun 15 11:52:54 CEST 2020
Hi
The name of the not found pseudo files finish all with .UPF_ have you checked that it is the right name of those files ?
Regards Pietro
Sent from Mail for Windows 10
From: Deepti Rajpoot
Sent: Monday, June 15, 2020 11:49 AM
To: users at lists.quantum-espresso.org
Subject: [QE-users] Error in QE : error message for pseudopotential (withnot a valid URI)
Hello users,
I am facing problem in QE. I am running single scf file but it is giving me following error message and only few lines get printed in output file. I have tried 6.2, 6.3 and 6.5 but it is giving the same error. I have also tried changing pseudopotential using upftool but did not solve the problem.
I will be grateful for your kind help.
Thank you
Yours Sincerely,
Deepti Rajpoot
Research Scholar
Indian Institute of Science Education and Research Bhopal
Bhopal, Madhya Pradesh,
India
-
-
-
-
Program PWSCF v.6.5 starts on 15Jun2020 at 15:20:36
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 160 processors
MPI processes distributed on 10 nodes
K-points division: npool = 4
R & G space division: proc/nbgrp/npool/nimage = 40
Reading input from scf.in
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
-
-
-
-
-
-
And the error it is showing is
Could not open file /home1/deepti17/scratch/25_SBFCO/vcrlxd_ccord_sbfco/4%_strain/single_scf/Bi.pbe-dn-rrkjus.UPF_ - not a valid URI
ERROR(FoX)
Could not open file /home1/deepti17/scratch/25_SBFCO/vcrlxd_ccord_sbfco/4%_strain/single_scf/Bi.pbe-dn-rrkjus.UPF_ - not a valid URI
ERROR(FoX)
Sent from Mail for Windows 10
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200615/07353e51/attachment.html>
More information about the users
mailing list