Hi,
Recently two bugs which caused Gromacs 4.0.? to hang during parallel simulations
were solved.
One issue is with LAM MPI 7.1.4, which apparently is buggy (solution, switch to
OpenMPI).
Another issue is a bug which occurs which occurs with mdrun -nosum
and infrequent writing to the energy file (nstenergy large or zero).
This bug has been fixed for 4.0.3.
If you experience hangs of mdrun NOT due to one of the above issues,
please report this to the list.
If you experience hangs due to one of the issues above and you have sent
a mail about this to gmx-users before, please also report, so we know
there are no open issues.
We would like to release 4.0.3 very soon.
Berk
_________________________________________________________________
Express yourself instantly with MSN Messenger! Download today it's FREE!
http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/
_______________________________________________
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
