I have tried running the "6c.lda.atompaw" pseudopotential at the PAW 1 tutorials using different versions of Abinit. In all cases the .out file gives the following error message at the very bottom:
psp7in: ERROR -
This version of PAW psp file ( 4) is not compatible with
current version of Abinit.
In line 2 the same .out file says the version of Abinit i 5.3.4, even though a newer version really is the one being used (currently 6.2.3).
Btw. I am running the program sequentially, and do not have MPI on the computer (and it does not have the abillity to it either).
bjornar
Running the PAW 1 tutorial
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Alain_Jacques
- Posts: 279
- Joined: Sat Aug 15, 2009 9:34 pm
- Location: Université catholique de Louvain - Belgium
Re: Running the PAW 1 tutorial
Hi Bjornar,
Well ... abinit doesn't lie about its version - it's not scared of growing old, I assume
So if it says 5.3, believe it and check what's in the PATH with a "which abinit". Take into account the change of naming convention - from abinis/abinip to the generic abinit for the new versions.
Kind regards,
Alain
Well ... abinit doesn't lie about its version - it's not scared of growing old, I assume
So if it says 5.3, believe it and check what's in the PATH with a "which abinit". Take into account the change of naming convention - from abinis/abinip to the generic abinit for the new versions.Kind regards,
Alain
Re: Running the PAW 1 tutorial
also, the versions you are talking about are pretty out-dated, you should update to a 7.0.x version--
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com