On Mon, Jun 4, 2012 at 4:38 PM, Jonathan Gough
<jonathan.d.gough.gmail.com>wrote:
> sorry for the typo.
>
> which mpicc
> /opt/openmpi/bin/mpicc
>
> I did do the mpich2 install in AmberTools with the intel compiler.
>
> You were correct, it was the syntax in .bashrc.
>
> I now get:
>
> which mpicc
> /share/apps/amber12/bin/mpicc
> [root.pople amber12]# which mpif90
>
eek! As a general suggestion, I would avoid using root for many tasks if
at all possible. What I would do in this case is change the ownership of
/share/apps/amber12 to your regular user and do everything as that user
(chown -R username /share/apps/amber12)
/share/apps/amber12/bin/mpif90
>
> Once again, thank you everyone!
>
> I know this might be bad form but, is there a good resource that explains
> the common sytax used? (maybe something to add to your wiki jason?)
>
The "common syntax" depends entirely on how you decide to proceed. My
instructions assumed you used apt-get's or yum's MPI (which I know some
people avoid, but it works for those that are fine using the system
compilers). It may be worthwhile to adjust the instructions for using the
Amber-built MPIs (or include instructions on how to compile your own, or
both).
In any case, I will probably adjust the instructions away from system MPI
installations.
Have fun with Amber!
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jun 04 2012 - 16:30:02 PDT
