The ABINIT Users Mailing List ( CLOSED )

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

I found that the g95/Windows compiled version of abinit is buggy when I 
tried to run a heavy PAW job with the binary. As soon as the first SCF 
cycle finished the program died with a report of access violation.

The bug is fixed, apparently, if I compile the program with the card 
-ffixed-line-length-132 (which uses all 132 columns in lines of fortran 
code).

Has anyone else noticed this in any other platform ?

I've uploaded the corrected binaries on my server. The compiler cards were:

FC=g95
FCFLAGS="-O3 -msse -mfpmath=sse -s -ffixed-line-length-132 -ffast-math" 
CPP="gcc -E -P -DPGIWin"
CC=gcc
CFLAGS="-O3 -msse -mfpmath=sse -s -ffast-math"


regards,

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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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