Hi,
Am 13.09.2007 um 23:29 schrieb Francesco Pietra:
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.
this is no problem. Instead of using any prebuilt package, compile
and install the two different versions of OMPI on your own, and use
two different locations for them, which you can achieve by e.g.:
./configure --prefix=/opt/my_location_a
and a different location of course for the other compilation. If you
now compile your application, be sure to get the correct one of mpicc
etc. in /opt/my_location_a/bin and also use this specific mpiexec
therein later on by adjusting the $PATH accordingly.
As we have only two different versions, we don't use the mentioned
"modules" package for now, but hardcode the appropriate PATH in the
jobscript for our queuing system.
--- Reuti
