[gmx-users] Latest gmxtest in git

Jess Bromley jess.bromley at googlemail.com
Fri Feb 12 19:01:29 CET 2010

> I haven't actually run 4.0.7 against git gmxtest, but I made the last commit
> to the latter, and it was routine for correctly-functioning 4.0.x versions
> to fail the tests you mention. I think your installation is fine.

Thanks Mark, that's very encouraging!

Just a quick followup: when I run the tests in parallel mode I'm also
seeing checkvir related failures in complex/field (~250-275 errors)
and complex/tip4flex (1 or 2 errors), although strangely the latter
PASSES for 4 CPUs and fails for other numbers.  Is this kind of
behaviour also expected?

PS I get fails in several other tests but they just seem to be due to
an inability to do domain decomposition on those tests.

PPS Strangely in parallel mode all the pdb2gmx tests pass, unlike in
single-CPU mode.

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