The ABINIT Users Mailing List ( CLOSED )

["Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>]

Paul Fons wrote:

> Hi Nuno,
>
> I am using abinit compiled using g95 (with mpich2) on a dual power  mac 
> G5.  I used the Oct. 5th version of the g95 compiler (compiled it  
> myself).  The paw tests (e.g. t06 in Test_v4) seem to run fine.  Can  
> you specify the input file you used and I will see if I can duplicate  
> it here.  It may be that g95 (www.g95.org) has been fixed (it is  
> evolving rapidly, especially bug fixes -- there is a new build almost  
> every day).

I used the Oct. 4th version for Windows. The Tutorial tests and the one 
you mention don't work and they stop with similar error messages. There 
seems to be a problem writing or reading from the disk. But at least I'm 
glad to hear the problem is not compiler specific.
Out of curiosity what were your compiler cards ? Did you link it to g2c?

>   While I am at it, how are you generating your paw potentials?  

Uspp2abinit.

The examples you and I described show the same symptoms so there's no 
use in me sending you huge attachments.

This is possibly a bug in g95 for Windows.

I have tried to use atompaw but it's buggy.


--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--


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