[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   

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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
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     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
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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)
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