The ABINIT Users Mailing List ( CLOSED )

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

Hello all,

I'm writing to restate that there must be something wrong with the PAW 
code in the g95 binaries. I tried to run my job using the following 
versions:

Version 4.6.5 crashes right after the SCF has converged. This is true
for both Windows and Linux, I checked. This made me think the mffmem
card was still buggy but it also crashes without this card. I tried the
binaries distributed on the website too.

Version 5.1.1 crashes right after the first PAW non-SCF iteration
starts. This is true for Windows and 64bit Fedora.

I invite any of the developers to debug the program. The ecut is small
so it can crash faster.

ftp://guest2:.welcome@85.138.32.81/Osbipy_PDOS.zip

regards,
--
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
--



--
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
--