[gmx-users] 1 out of 14 complex tests FAILED in GROMACS 3.3.1 installation dec+water

[David van der Spoel]

himanshu khandelia wrote:
> Hi,
> 
> I used the test set for 3.3.2 on my 3.3.1 installation, and only one of 
> the 14 tests failed. The log files and .out files from the pertinent 
> failed test are attached. I am guessing that this test would run well 
> only on 3.3.2 ?

please read the wiki page on the test set. these are most likely 
negligible differences.
> 
> Thank you very much for the help,
> 
> -Himanshu
> 
> 
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-- 
David van der Spoel, Ph.D.
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