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

Yang Ye leafyoung81-group at yahoo.com
Wed Apr 4 05:09:22 CEST 2007


Have a digg in the mailing list. I remember that someone has once shared...

On 4/4/2007 6:15 AM, Mike Hanby wrote:
>
> 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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>
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