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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Received on Mon Oct 26 2009 - 15:00:03 PDT
