Dear Amber users,
I am trying to run Amber10 on a IBM cluster.
I compiled only the parallel version using xlf90_suse and mpich.
When I tried to run sander.MPI I got the error: error in reading
namelist cntrl.
I guess this should be in principle related to some mistake in the
input file. However I used the same input file on a different machine
and it was working fine.
In addition I tried to run manually one of the test (rem_wat/ ) where
sander.MPI is used and still get the same error.
I have attached the output derived from the test rem_wat/ .
I was wondering if it could be a problem related to how sander.MPI has
been compiled on the cluster.
Is possible that due to the compiler used, the program could be more
strict in checking the input format.
Any suggestion on how the problem could be solved?
I would really appreciate any help.
Thanks a lot,
Giuseppe De Marco.
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Received on Tue Nov 03 2009 - 12:00:04 PST
