Re: [AMBER] Antechamber loading Problem

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 6 May 2011 10:02:01 -0400

On Fri, May 06, 2011, souvik sur wrote:
>
> Unknown UnknownError: cannot run "$AMBERHOME/exe/divcon"

As you already know, you need to upgrade.

> already untarred the AmberTools 1.5 tar file and also compiled
> openmpi-1.4 tar file which is
> needed for installation.

First, openmpi (or any MPI) has nothing to do with antechamber. Second,
you don't tell us what you did after untarring the AmberTools 1.5 file, how
you configured and compiled it, or what the problem is with the new code.
You also don't say (in any of these messages) anything about the results of
running the test suite. I can guess(!?!) that you came across sustiva in the
test suite, but this is only a guess, and there is no information given about
the results of any other tests.

So, please put just one question in each email, and *carefully* describe
exactly what you did, and exactly what the result was. Don't do anything with
parallel options until you understand how the serial codes work.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 06 2011 - 07:30:02 PDT
Custom Search