Re: [AMBER-Developers] CVS Tree Locked

From: Gustavo Seabra <>
Date: Sat, 6 Mar 2010 12:58:44 -0300

On Sat, Mar 6, 2010 at 1:36 AM, Daniel Roe <> wrote:
> I will take responsibility for this. I was testing the code for Carlos, but
> I forgot that the test Makefile overwrites the TESTsander variable for the
> parallel tests. So when I ran the parallel tests I wasn't testing what I set
> TESTsander to, I was testing the default ($(AMBERHOME)/exe/sander.MPI). As a
> bonus the error doesn't show up when the fdist subroutine isnt called (i.e
> REM runs etc with 1 thread per group still passed the parallel tests). Sorry
> everyone.

That's weird... Something else may be broken. For me, it has always
worked to set TESTsander to point to any executable I wanted, (serial
or parallel, sander or pmemd) and the tests used the correct

> Can anyone suggest an easy way to modify the parallel tests so that you can
> set a variable to point to the binary you want to test (like TESTsander in
> the serial tests). I suppose you could have a SANDERMPI variable in the
> makefile or something that TESTsander gets set to, like

If just using:

  $ export TESTsander=/path/to/the/parallel/executable/I/want/to/test

isn't working, something else must be wrong.

Gustavo Seabra
Professor Adjunto
Departamento de Química Fundamental
Universidade Federal de Pernambuco
Fone: +55-81-2126-7450 Ext. 5021

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Received on Sat Mar 06 2010 - 08:00:04 PST
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