[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 
> now.

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?

> Chris.
> -- 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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