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

Hi Eric, I think you'll be _very_ happy with Gromacs4, or the current CVS version if you want to test that :-) One problem is that "relative scaling" is a rather pointless measure, since it will be better the slower the code is on a single CPU (less time spent in communication). Our paral

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

As I understand it, Blue Matter is a very stripped down laboratory code, so I think the scaling is the only large virtue that one would want to acquire. At 02:06 AM 4/7/2007, you wrote: Eric Jakobsson wrote: Not a direct response but a thought: Wouldn't it be wonderful to have a code that co

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

Eric Jakobsson wrote: Not a direct response but a thought: Wouldn't it be wonderful to have a code that combined the best qualities of Gromacs and Blue Matter? Is it possible to assemble a group or community of people to do that? Erik L. has been in touch with IBM about their 3D FFT routines

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

Not a direct response but a thought: Wouldn't it be wonderful to have a code that combined the best qualities of Gromacs and Blue Matter? Is it possible to assemble a group or community of people to do that? At 05:15 PM 4/3/2007, you wrote: Content-class: urn:content-classes:message Content-

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

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 (bl

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

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 Gromac