The ABINIT Users Mailing List ( CLOSED )

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

It's official. Abinit can now read/write WFK files exceeding 2Gb in 32 
bit Windows with the help of the latest release of g95.

For those of you who can compile by yourselves my advice is to use the 
keyword -Wl,--heap=0x20000000 or maybe -Wl,--heap=0x40000000 when 
linking and abinis should crunch numbers quite happily.

I'm running a test file and so far I have a 8 Gb WFK file. I think it's 
more likely that I run out of disk space than for abinis to crash.

Andy Vaught has worked tirelessly to make the g95 compilate of abinit 
work properly under windows and I thank him enormously ! Visit 
www.g95.org and download the very latest mingw version or cygwin version 
if you prefer.

For those less technically oriented I plan to distribute abinit for 
Windows from my website in a few weeks time so you can download it and 
use it.

cheers,
--
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
--