[gmx-developers] GCC Versions

[David van der Spoel]

Erik Lindahl wrote:
> Hi,
> 
> I'm considering switching the build system to CMake (in the short 
> perspective we'd support both this and autoconf), so in that case we 
> could do it through CTest and CDash. This way any user can do automated 
> testing on their pet platform and report the results to the test 
> dashboard, where it will show up in red if some tests break.

[kahlo:~] % cmake
cmake: Command not found.

This is going to make many people unhappy...

> 
> The original 4.1.x warning was due to a prerelease compiler shipping 
> with Ubuntu, IIRC.

The same problems were found on Fedora and debian.
Simultaneously the glibc has become more picky, and memory violations 
that were real bugs turned up as well.

Right now there is quite a bit of erratic behavior being noted on 
mailing lists.

> 
> Cheers,
> 
> Erik
> 
> On Dec 17, 2008, at 9:01 AM, David van der Spoel wrote:
> 
>> Roland Schulz wrote:
>>> Hi,
>>> regarding the warning (/*WARNING: do not use the gcc 4.1.x set of 
>>> compilers.) */on the download page:
>>> Do we have a small test case which shows the error in gcc 4.1? Or do 
>>> we only have the reports of people that gromacs does "strange" things 
>>> with 4.1.x? Are all 4.1 affected?
>>> What about 4.2.x and 4.3.x?
>>> As I said before: I would be happy to (help to) set up an automatic 
>>> build and test system so we better know which compiler and platforms 
>>> have problems. We could use http://buildbot.net/trac
>>
>> It seems that new platforms also give problems, whether these are due 
>> to compilers remains to see. Problems also show up in other programs 
>> than mdrun. Running make distcheck verifies the distribution based on 
>> a CVS tree, and running the test set under different environments 
>> would be a first step to check the grompp/mdrun/pdb2gmx codes.
>>
>> It seems that the real problem is to do this on many different 
>> machines, and how does buildbot help with this?
>>
>>> Roland
>>> -- 
>>> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 
>>> <http://cmb.ornl.gov>
>>> ------------------------------------------------------------------------
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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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> 
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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