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.
*************************** 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
