Hi Mark, Thanks! S.
On Wed, May 27, 2009 at 12:03 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > Mark Abraham wrote: > >> 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. >> > > Sorry, I mis-remembered something. The kernel issues were caused by a > hard-to-provoke bug in 3.3.x which provided the reference trajectories. > GROMACS 4.0.x are fine, but the test fails because of the flawed reference > values. See bugzilla 313 for details. > > Mark > > > 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 >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use the www >> interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> >> _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Sen PICB, Shanghai, 200031 CHINA
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php