[Bug 531605] Review Request: packmol - Packing Optimization for Molecular Dynamics Simulations

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Fri Oct 30 16:01:02 UTC 2009


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https://bugzilla.redhat.com/show_bug.cgi?id=531605





--- Comment #7 from Jussi Lehtola <jussi.lehtola at iki.fi>  2009-10-30 12:01:01 EDT ---
(In reply to comment #5)
> Also I asked for the compilation flag and he replied me:
> Concerning the compilations flags, well, --ffast-math accelerates things,
> and it is not really relevant for the packing results be reproducible. Since
> I never had problems with that compilation flag, I would prefer to keep it.

Well, --fast-math makes debugging very hard, but if the author suggests using
it then it might not be a problem. I wouldn't use it myself, though...

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