Francesco,

We use modules (http://modules.sourceforge.net/) to manage 14 different OpenMPI versions on the same cluster, along with their associated applications. This is a nice way to establish dependancies between apps and libs and keep things organized.

Good luck.
--andy

$ module avail openmpi
---------------------------- /home/software/rhel4/Modules/3.2.1/modulefiles 
----------------------------
openmpi/1.0.2-gcc          openmpi/1.1.0-pgi616       openmpi/1.1a9-pgi
openmpi/1.0.2-nag          openmpi/1.1.2-intel        openmpi/1.2-pgi
openmpi/1.0.2-pgi(default) openmpi/1.1.2-pgi          openmpi/1.2.3-gcc
openmpi/1.0.3a1-pgi        openmpi/1.1.4-pgi62        openmpi/1.2.3-pgi
openmpi/1.1.0-pgi          openmpi/1.1a8-nag


On Thu, 13 Sep 2007, Francesco Pietra wrote:

Is it possible to have two different compilations of openmpi on the same machine (dual-opterons, Debian Linux etch)?

On that parallel computer sander.MPI (Amber9) and openmpi 1.2.3 have both been compiled with Intel Fortran 9.1.036.

Now, I wish to install DOCK6 on this machine and I am advised that it should be better compiled on GNU compilers. As to openmpi I could install the Debian package, which is GNU compiled. Are conflicts between the two installation foreseeable? Although I don't have experience with DOCK, I suspect that certain procedures with DOCK call sander.MPI into play.

I rule out the alternative of compiling Amber9 with GNU compilers, which will run slower.

Thanks

francesco pietra



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