The ABINIT Users Mailing List ( CLOSED )

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

gay@sfu.ca wrote:
> I found recent versions of gfortran gave big errors on 
> tests v2, 61-66, which did not happen with earlier (Oct 06)
> versions of gfortran. Do you find this?
>   
Yes I do ! v2-21,58,61-66 have a failure report. Also v3-30,31,57 and 97 
fail and so too do v4-8,57,84-88 and v5-63.
Does anyone on the development team see a pattern or are these tests 
totally unrelated ?

I had noticed this with previous editions of abinit but since they 
weren't so many compared to the full range of tests I didn't  pay too 
much attention.

It has also been my experience that g95 makes pretty good binaries but 
they are painfully slow and the people at AMD have yet to make a g95 
compiled ACML for Windows. The one I use is a special hack of a g77 
binary libacml to become usable with gfortran. ACML makes it run much 
faster. The benchmark tests are run from an x86-64 platform and my 
humble pentium 4 can beat the timings for most of them.

pgf90 is comparable in performance to gfortran+acml.

--
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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