gaussian 03 recompiled

Sigismondo Boschi s.boschi a cineca.it
Gio 19 Gen 2006 09:13:37 CET


Since one user signaled a problem with Gaussian03, we have recompiled it
with the up-to-date compiler: this solved the problem.

The standard commands:
    module load gaussian
    subg03
now sets up the environment for the newly compiled version (it could be
also faster, since the new compiler takes advantage of power5 features).


If you need to check with the old one, you need to set-up your cmd file
by yourself, loading the module:
    module load gaussian/03b05old

For completeness: the original problem was that Gaussian was stopping
with a core-dump, with the last line in the log file being:

  Petite list used in FoFCou.


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Sigismondo Boschi, Ph.D.               tel: +39 051 6171559
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via Magnanelli, 6/3                    http://instm.cineca.it
40033 Casalecchio di Reno (BO)-ITALY   http://www.cineca.it



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