[gmx-users] replica exchange

[David]

On Thu, 2005-11-03 at 10:10 -0600, rob yang wrote:
> hello again,
> still hacking away at RE. so i got it to run for a while and then it died 
> with the message:
> -------------------------------------------------------
> Program mdrun_mpi, VERSION 3.3
> Source code file: enxio.c, line: 343
> 
> Fatal error:
> could not write energies
> -------------------------------------------------------
> is this a memory related error?
disk full?

> 
> also, is there a pre-defined waiting length for the different runs to 
> finish? ie, if i am running 2 jobs on 2 diff machines and 1 of them finishes 
> way earlier than the other, does the program sit idle for X seconds waiting 
> for job2  and terminates if the wait is longer than X seconds? if so, is 
> there a parameter to set X ourselves?

I think something like this was fixed sometime ago...
Otherwise check whether your sims are in sync.

> 
> thanks alot.
> 
> rob
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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