I'm building it as root, but its in a directory of shared apps, so the
permissions are globally executable. No worries, I don't do work as root
On Jun 4, 2012 7:16 PM, "Jason Swails" <jason.swails.gmail.com> wrote:
> 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
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>
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Received on Mon Jun 04 2012 - 17:00:03 PDT
