Hi Jason,
Thanks for the reply.
For my surprise, I still get the same error even after I run the installation start from beginning.
The problem occur when I try to compile at
Building CUDA-enabled Amber in parallel
as described in the website you mentioned above.
Is there any other way to fix this issue?
Regards
Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
________________________________
From: Jason Swails <jason.swails.gmail.com>
To: AMBER Mailing List <amber.ambermd.org>
Sent: Tuesday, 17 April 2012, 2:53
Subject: Re: [AMBER] error installing Amber12-gpu version
As Dave mentioned, the problem is that the MPI libraries can't be found in
any directories listed in LD_LIBRARY_PATH. I have updated the procedure on
http://jswails.wikidot.com/installing-amber12-and-ambertools-12 to reflect
this new instruction.
HTH,
Jason
On Mon, Apr 16, 2012 at 9:19 AM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Mon, Apr 16, 2012, Vijay Manickam Achari wrote:
>
> >
> > I tried to compile the serial version of amber12 and I installed
> > openmpi-1.5.4. from Ambertools/src by executing ./configure-openmpi
> > script. All the installation went on smoothly.
> >
>
> > Then in execute 'make install' command to install amber12 parallel
> > version and I got stuck again. The errors are as below;
>
> > /usr/local/apps/amber12/bin/yacc -d nabgrm.y
> > /usr/local/apps/amber12/bin/yacc: error while loading shared libraries:
> libmpi.so.1: cannot open shared object file: No such file or directory
>
> Does your LD_LIBRARY_PATH variable include $AMBERHOME/lib? Or have you set
> MPI_HOME to $AMBERHOME? Also, make sure that "which mpicc" returns the
> executable in $AMBERHOME/bin.
>
> ...good luck...dac
>
>
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> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Apr 17 2012 - 09:30:02 PDT
