Mark.Abraham at anu.edu.au
Wed May 27 05:54:56 CEST 2009
Simba Xiao wrote:
> Dear all,
> Does your GMX 4 past the gmxtest package in the gmx wiki ?
> My Gromacs 4.0.4 can not pass all the test. The test tip4p, ti4pflex
> and some kernel issues failed.
That's normal at the moment, unfortunately. Future releases of gmxtest
will probably fix the non-kernel issues, and GROMACS > 4.0.5 will fix
the kernel issues.
> I use standard packages and everything looks find. The simulation result
> are good and identical to gromacs 3.3.3.
> But, still it annoys me with the test result.
> Can somebody tell how much the test matters and can somebody tell
> something more than the wiki tells (It dose not explain much).
Well, it does explain things, but not such that a new GROMACS user can
get a useful result from existing versions of gmxtest. I'll upgrade the
wiki documentation if/when a gmxtest re-release happens.
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