Hi Gustavo,
Are you sure you aren't just running the sander.MPI in your $AMBERHOME/bin
directory? If I do something like
export TESTsander=ThisWontWork
and run:
make test
I indeed get something like:
cd cytosine && ./Run.cytosine
ThisWontWork: Command not found.
./Run.cytosine: Program error
make: *** [test.sander.BASIC] Error 1
However, if I do the same thing and run:
make test.parallel
(after setting DO_PARALLEL and setting up MPI etc) I get:
cd cytosine && ./Run.cytosine
diffing cytosine.out.save with cytosine.out
PASSED
the reason being that in the makefile the parallel tests are set up in this
way:
test.sander.BASIC.MPI:
export TESTsander=$(AMBERHOME)/exe/sander.MPI; $(MAKE) -k
test.sander.BASIC
export TESTsander=$(AMBERHOME)/exe/sander.MPI; cd 4096wat &&
./Run.column_fft
...
So whatever you set as TESTsander gets overwritten to be what is in
$AMBERHOME/exe. I have done a cvs update on the makefile and its current -
is it set up differently in your makefile? Or am I missing your point?
-Dan
On Sat, Mar 6, 2010 at 10:58 AM, Gustavo Seabra <gustavo.seabra.gmail.com>wrote:
> On Sat, Mar 6, 2010 at 1:36 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> > I will take responsibility for this. I was testing the code for Carlos,
> but
> > I forgot that the test Makefile overwrites the TESTsander variable for
> the
> > parallel tests. So when I ran the parallel tests I wasn't testing what I
> set
> > TESTsander to, I was testing the default ($(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
> executable.
>
> > 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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> AMBER-Developers.ambermd.org
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>
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Received on Sun Mar 07 2010 - 07:00:02 PST
