Re: [AMBER-Developers] AT parallel

From: Lachele Foley <lfoley.ccrc.uga.edu>
Date: Thu, 3 Sep 2009 21:36:19 +0100

> But it's not getting built
> by what you did. The assumption (not documented) was the people would build
> the serial version first, then the parallel one.

I should have known that... sorry.

Serial and parallel compiled using gnu -- even without the change you suggest, which I forgot to make. Hasn't worked yet for the intel compilers, but I'm still troubleshooting.


:-) Lachele 
--
B. Lachele Foley, PhD '92,'02
Assistant Research Scientist
Complex Carbohydrate Research Center, UGA
706-542-0263
lfoley.ccrc.uga.edu
----- Original Message -----
From: case
[mailto:case.biomaps.rutgers.edu]
To: AMBER Developers Mailing List
[mailto:amber-developers.ambermd.org]
Sent: Thu, 03 Sep 2009 15:31:43
-0400
Subject: Re: [AMBER-Developers] AT parallel
> On Thu, Sep 03, 2009, Lachele Foley wrote:
> 
> > I got the CVS version last night.  I'm trying to compile AmberTools
> > 
> > It dies from not finding yacc, but I can't see where it tried to make it
> > (and failed).  I don't think I missed any steps:
> 
> AmberTools comes with its own version of yacc.  But it's not getting built
> by what you did.  The assumption (not documented) was the people would build
> the serial version first, then the parallel one.
> 
> > 
> > export AMBERHOME=/programs/amber11_20090902
> > export PATH=$AMBERHOME/bin:$PATH
> > export MPI_HOME=/opt/hpmpi
> > export MKL_HOME=/opt/intel/Compiler/11.0/083/mkl
> > ./configure_at -mpi intel
> >  ...... configure said it was happy
> > [installer.yeats src]$ make -f Makefile_at parallel
> 
> OK: the (new) "parallel" target is broken.  Comment out or remove line 71
> of Makefile_at.  (Or update your CVS, since I commited that change.)
> 
> ....dac
> 
> 
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> AMBER-Developers.ambermd.org
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Received on Thu Sep 03 2009 - 14:00:05 PDT
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