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Running the PAW 1 tutorial

Posted: Tue Mar 12, 2013 2:17 pm
by bjornar
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

Re: Running the PAW 1 tutorial

Posted: Tue Mar 12, 2013 8:14 pm
by Alain_Jacques
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

Re: Running the PAW 1 tutorial

Posted: Sat Mar 23, 2013 11:41 am
by jzwanzig
also, the versions you are talking about are pretty out-dated, you should update to a 7.0.x version--