On Wed, Aug 10, 2011 at 11:01 PM, Irene Newhouse <einew.hotmail.com> wrote:
>
> I'm trying to follow the instructions for compiling parallel Amber11 [I
> have the serial version already] from Amber11.pdf, page 11. Openpmi is now
> up to version 1.4.3 from 1.4.1 in the manual & the config_openmpi file, so I
> saved a copy of the original & changed the version number. mpicc & mpig90
> are in /usr/local/bin, & my .bashrc reflects that. which & whereis locate
> mpicc & mpig90 in the terminal session I'm using for the attempted make.
> Nonetheless, when I try ./configure_openmpi gnu, the response stubbornly
> remains:
>
> Setting AMBERHOME to /usr/amber11/AmberTools
>
> You must download openmpi and extract it here
> (for example, type 'tar xvfj openmpi-1.4.3.tar.bz2')
>
This error message is pretty clear. You need to download
openmpi-1.4.3.tar.bz2 and extract it in $AMBERHOME/AmberTools/src. *Then*
run configure_openmpi.
If you already have an MPI built on your system, you can ignore this step.
Or, if you're OK just running the serial version of every program, just
configure and build amber without doing this step.
HTH,
Jason
See
http://www.open-mpi.org/software/ompi/v1.4/ for more info;
> Then, re-run this script.
>
> I have a 4-processor Dell Workstation running Centos5.6. Can anyone
> suggest what I might be doing wrong?
>
> Thanks!
> Irene Newhouse
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Aug 10 2011 - 20:30:05 PDT
