[gmx-users] mdrun 4.0 hangs (please report back)

Berk Hess gmx3 at hotmail.com
Thu Jan 15 18:32:22 CET 2009


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.


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