Re: [gmx-users] Latest gmxtest in git

2010-02-12 Thread Jess Bromley
> 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 expe

Re: [gmx-users] Latest gmxtest in git

2010-02-12 Thread Jess Bromley
> 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 t

[gmx-users] Latest gmxtest in git

2010-02-11 Thread Jess Bromley
Dear All, I have retrieved the latest version of the gmxtest regression tests from git and run them against a newly installed GROMACS 4.0.7 installation. Most of the tests pass, but there are a few problems --- I know from the wiki that some problems are expected, but as a sysadmin rather than a