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Abinit 5.4.3 reloaded


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  • From: "Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>
  • To: Abinit forum <forum@abinit.org>
  • Subject: Abinit 5.4.3 reloaded
  • Date: Mon, 08 Oct 2007 17:03:34 +0100

Hello all,

I've recompiled the latest abinit with pgf90 thanks to Masao Arai's fix.
The updated executables are then at the usual place

http://cqb.fc.ul.pt/intheochem/nuno/data/index.htm

These binaries have not been tested and the optional modules like bigdft
have not been included. I'm not sure if they will be faster than
gfortran+acml. From some of the tests I've seen the speed will rather
depend on the tasks performed by abinit.

Please give the binaries a go and then report back to the forum on their
performance.


--
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
--



  • Abinit 5.4.3 reloaded, Nuno A. G. Bandeira, 10/08/2007

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