[gmx-users] problems running in parallel

[Andre Farias de Moura]

dear gromacs users,

recently I began to run gromacs in a parallel machine, but
I am facing some problems.

I began to use a dual AMD Athlon MP 2000+ running Red Hat 8.0.
I've downloaded the fft and lam-mpi libraries from the gromacs
homepage and followed the installation steps successfully, but
when I start simulations something strange happens: after some
time (a day or two) the jobs are still running on both CPU's,
but there is no output update (when I got here this afternoon,
it had been more than 8 hours since the last output update; as
a matter of fact, the calculation should be over by now).
it seems that some comunication problem happened, could it be
due to system heating? both CPU's had a temperature around
55 oC/130 oF, is that too high?

thanks in advance,

andre

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      André Farias de Moura
  Laboratório de Química Teórica
Universidade Federal de São Carlos
     São Carlos - SP - Brasil
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