[gmx-users] Mac OS X setup for paralell gmx

David L. Bostick dbostick at physics.unc.edu
Thu Sep 16 00:20:41 CEST 2004

Dear all,

I have recently started using a dual processor Mac-G5 w/ OS 10.3.5. I wish
to start using gmx on this machine and was wondering if anyone could tell
me straight-up the best way to configure and run mpi and gmx.  I imagine
there are many of you who have gone through the trials and tribulations of
doing this, and was hoping that I could learn from your experiences.

- What do you find is the best mpi to use? lam-mpi, mpich, mpich-gm .. etc.
What are the benefits of each.

- Are there any special things I must do to get it to work
properly/optimally ... i.e. I noticed from the archives that someone
recommends using an --with-rpi=tcp option when configuring lam-mpi

- Can one recommend alternative compilers like the IBM xlc or xlf

- Are there options I should turn on or off in order to run optimally on
such an operating system?

The emails on this subject in the user-archive are a little fragmented,
perhaps if I can gather suggestions from as many users/developers as
possible, I can come up with a coherent user-friendly recipe for compiling
and running on the Mac.

I would really appreciate any help anyone could offer.
David Bostick

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