[gmx-users] Testing (was: Tyrosine problems again)
David van der Spoel
spoel at xray.bmc.uu.se
Fri Aug 1 10:47:37 CEST 2008
chris.neale at utoronto.ca wrote:
> Roll back to gcc 3.x.
> There is information available that says something like "don't use gcc
> 4.x, it is broken", but I stand by my previous comments that it is
> unfortunate that it is up to the end user to search the gromacs archives
> to find this out, not withstanding that it is a gcc-based problem.
> In my opinion, you're fortunate to have found this out and there are
> probably *lots* of people running gcc 4.x installations of gromacs right
We discussed including the test set with the distribution, which would
simplify the procedure, but decided against it, because the distribution
would become a lot bigger.
Maybe we should reconsider this?
> -- original message --
> In the configuration log when I installed gromacs it indicates I'm using
> gcc version 4.3.0 20080428 (Red Hat 4.3.0-8).
> The log also shows lines of:
> checking dependency style of cc
> result: gcc3
> Sorry, I don't know much about compilers etc; is this the answer you
> were looking for?
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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