Can't reproduce your problem (nvfortran v.22.7).
end of file reached, tag PP_HEADER not found
PP_HEADER is the first tag that is actually read. It looks like there
are spurious characters in the file, like CRLF.
Paolo
end of file reached, tag not found
end of file reached, tag PP_MESH not found
end of file reached, closing tag not found
…
01
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine set_dft_from_name (2):
conflicting values for iexch
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
The Pseudopotentials are obtained from
http://www.quantum-simulation.org/potentials/sg15_oncv/
<http://www.quantum-simulation.org/potentials/sg15_oncv/>
I see it for both scalar relativistic and fully relativistic pseudo
potentials. The specific pseudpotentials for which it failed are
Br_ONCV_PBE-1.2.upf
Br_ONCV_PBE_FR-1.0.upf
Could you please let me know if you have any idea why? I will be happy
to share the build info if you need it.
Thanks,
Soham Ghosh
HPC performance engineer,
NERSC at LBL
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
AVAILABLE POSITION:
https://physicslab.uniud.it/persone/paolo-giannozzi/prin2022
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
