[gmx-users] gmxtest

[Mark Abraham]

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.

Mark