AMBER Archive (2009)

Subject: [AMBER] PEMD

From: Cristina Sisu (csds2_at_cam.ac.uk)
Date: Mon Oct 26 2009 - 16:44:42 CDT

Hi,

I've been following the tutorial of the replica exchange simulation (http://ambermd.org/tutorials/advanced/tutorial7/
), but i can not get trough the first equilibration step. When I run
the command sander.MPI -groupfile equilibration.groupfile on the
cluster, I keep getting the error:

> Please read the license at http://amber.scripps.edu/amber10.license.html
> .
>
>
> Loading additional modules: intel/cce/11.0.081 intel/fce/11.0.081
> intel/cmkl/10.1.1.019 fftw/intel/64/3.2.1
>
>
> Unit 5 Error on OPEN: mdin
> mpiexec: Warning: accept_abort_conn: MPI_Abort from rank 0. Killing
> all.
> mpiexec: Warning: task 0 exited with status 1.
> mpiexec: Warning: tasks 1-7 died with signal 9 (Killed).

All my input files are exactly like the one described in the tutorial,
and yes I am using amber 10. Can anyone please tell me help me figure
out what's happening?

Thanks,
Cristina

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