| 1:05:49 AM PDT - Thu, Jul 26th 2012 |
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Dear Karol,
thank you very much for that unexpected and very generous offer.
This should really save us quite some administrative effort trying to organize reliable overnight compute jobs
in that computer pool and of course it will reduce the students idle time substantially :-) On top, with three
heavy atoms and a reasonable basis set we should be able to do more interesting examples than just the
canonical two-atomic molecules.
Please email the files to c.koehler@bccms.uni-bremen.de (I could not get an email address verified for some reason,
but it should work). I am using 6.1.1 with gfortran/gcc 4.3.3 and no optimized BLAS (might try some later).
I assume I can simply replace the old ones and recompile ?
It would be great if the change would make it into the next release.
Best Regards
Christof
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