David van der Spoel wrote:
[EMAIL PROTECTED] 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?

I think the most common problem people have is not knowing where to get the test set (I know I've seen it asked several times across this list). Since it's got its own page on the wiki with all the documentation, maybe it would be useful to simply print a message to the screen after the installation:

"If you would like to test your installation of Gromacs, visit http://wiki.gromacs.org/index.php/Test-set and download the appropriate set. This is especially recommended for users who have compiled with gcc 4.x"

Just a thought.

-Justin



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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--
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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