[Pw_forum] pw_langevin test
Paolo Giannozzi
p.giannozzi at gmail.com
Sun Jun 19 09:04:08 CEST 2016
Remove the pseudopotential file (H.pbe-rrkjus.UPF). It might have been
corrupted in a previous failed attempt to download it.
Note that the pw_langevin test is stocahstic and results will depend
upon the number
of processors used.
Paolo
On Sun, Jun 19, 2016 at 1:48 AM, Ian Dunn <iansdunn at gmail.com> wrote:
> Hi,
>
> I'm trying to run the tests for version 5.4.0 of QE. The two pw_langevin
> tests fail as shown below. This is the result of running "make" from within
> the test-suite directory. Please let me know if I can provide more helpful
> information. Any idea how to fix these failing tests?
>
> Best,
> Ian
>
> Program PWSCF v.5.4.0 starts on 18Jun2016 at 19:43:37
>
> 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);
> 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 1 processors
> Reading input from langevin.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
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> Error in routine read_ncpp (1):
> pseudo file is empty or wrong
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> stopping ...
>
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--
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
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