Yes it is. Now everything is fine with openmpi instead of mvapich2. dawei
On Wed, Aug 11, 2010 at 12:59 AM, Mark Abraham <mark.abra...@anu.edu.au> wrote: > > > ----- Original Message ----- > From: Da-Wei Li <lida...@gmail.com> > Date: Wednesday, August 11, 2010 6:23 > Subject: Re: [gmx-users] New beta release: 4.5-beta3 > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > >> Hi,all >> >> Unfortunately, it still crash. Here it is the output of mdrun. Both >> Gromacs-4.0.7 and non-parallel 4.5b3 work fine on this system. I use >> mvapich2 and intel compiler. > > MPICH variants are known to cause problems. Try OpenMPI. > > Mark > >> *************************** >> Getting Loaded... >> Reading file em.tpr, VERSION 4.5-beta3 (single precision) >> Loaded with Money >> >> >> Will use 9 particle-particle and 7 PME only nodes >> This is a guess, check the performance at the end of the log file >> Making 1D domain decomposition 9 x 1 x 1 >> >> Back Off! I just backed up em.trr to ./#em.trr.4# >> >> Back Off! I just backed up em.edr to ./#em.edr.4# >> >> Steepest Descents: >> Tolerance (Fmax) = 1.00000e+03 >> Number of steps >> = 50000 >> rank 9 in job 1 hpc-8-6.local_58777 caused >> collective abort of all ranks >> exit status of rank 9: killed by signal 9 >> >> ******************************* >> >> dawei >> >> On Tue, Aug 10, 2010 at 3:24 PM, Rossen Apostolov >> <rossen.aposto...@cbr.su.se> wrote: >> > >> > New beta release of gromacs is available for testing: >> > ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.5-beta3.tar.gz. >> > >> > Many bugs have been fixed in this release, mainly double >> precision support >> > with icc compilers, SSE2. Have a look at the release note on >> the website for >> > more details. There are still some issues on Windows platofrms >> that will be >> > resolved before the final release. >> > >> > Please try it out and see if it works as expected! Hopefully >> there won't be >> > many more betas :)) >> > >> > Rossen >> > -- >> > gmx-users mailing list gmx-us...@gromacs.org >> > http://lists.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://lists.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-us...@gromacs.org > http://lists.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://lists.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
