[gmx-users] Compile Gromacs for Blue Gene/L

[Mike Hanby]

Howdy,

 

We are bringing a one rack (1024 node) IBM Blue Gene/L system online.
I've been tasked with compiling Gromacs for the Blue Gene. We have the
XL compilers installed (blrts_xlc / mpixlc, etc), so I'll be using those
rather than GNU.

 

Has anyone on here successfully cross compiled Gromacs for use on BG/L
and if so, would you mind sharing your ./configure command options?

 

This will be the first real application that I've compiled for Blue
Gene, so I'd like to check with the group before I jump in :-)

 

Thanks, Mike

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