Tutorial-l Mailing List

From: Anna Dejardin (anna.dejardin_at_ucl.ac.uk)
Date: Thu May 14 2009 - 07:24:42 CDT

Hi,

I'm just trying to work through the Basics of NAMD tutorial. I have
attempted to run the simulations of Ubiquitin in a water sphere and in a
water box but both times the simulation has been aborted and this error
message returned:

------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE

[0] MPI Abort by user Aborting program !
[0] Aborting program!

I have had a look at the other threads relating to this error message in
the mailing list, and have tried all of the things that the mac user who
encountered the problem previously was told to try. I am also calling
both namd and the config file using their full paths. I am however using
a Linux machine.
Do you have any idea what's going on and any advice on what I can do?

Thanks

Anna Dejardin
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