On Mon, Jul 02, 2012, Anna Bauß wrote:
>
> Running multisander version of sander Amber12
> Total processors = 2
> Number of groups = 2
>
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> Error opening unit 30: File "515_now_min_0.00.rst" is missing or
> unreadable
>
> Error opening unit 30: File "517_now_min_0.00.rst" is missing or
> unreadable
>
> We have no idea what the reason for the MPI aborting is and would be
> thankful for any helpful comments.
Just a sanity check: are the "515_" and "517_" files listed above actually
where they should be? In your previous post, the group file referred to
files like "1qdb_515w_min_0.00.rst" which is similar to, but clearly not the
same as, the ones listed above that sander is trying to find.
Thomas' suggestions are also good ones.
....dac
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Received on Mon Jul 02 2012 - 05:00:02 PDT
