[EMAIL PROTECTED] wrote:
Hello,

I am trying to track down the exact nature of the gcc-4.1.x / gromacs bug. I have a system on which we were forced to reinstall gromacs (3.3.1 and 3.3.3) about 2 weeks ago and I didn't realize that the default gcc was bumped to 4.1.2.

I am interested because ideally we won't need to throw out the last two weeks of simulation.

The installation went fine and I have just run the tests in serial single precision, which all passed (except dec+water, although that was as indicated to be actually ok on the wiki... LJ (SR) step 34: -0.21167, step 34: -0.147217)

That sounds good, but I'm not sure if it is enough.

I searched the archives, but a simple search for gcc is overwhelming and I couldn't find anything specific. I did find some references to the bugzilla (without links), but even when I search for gcc on bugzilla I get Zarro Boogs found.
Did you select "Closed bugs" as well?

It would indeed be great if we could do more exhaustive tests at compile time...

Thanks,
Chris.

_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use thewww interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php


--
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.
[EMAIL PROTECTED]       [EMAIL PROTECTED]   http://folding.bmc.uu.se
_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to