AMBER Archive (2000)

Subject: Re: PME on cluster on linux

From: Kouji Hayama (hayama_at_lance.mecha.osakafu-u.ac.jp)
Date: Fri Feb 11 2000 - 12:09:05 CST

Thank you your reply.

Nelson Teixeira Brito wrote:

> I don't know the benchmarks you are talking about, but programs
> designed for parallel processing with SMP may not run in clusters;
> it depends on the way the program is writen.
>

The benchmark is the "amber5.benchmarks.tar.gz".
This benchmark was got from amber home_page.

>
> How did you compiled sander? did you include the MPI libs
> in the makefile?
> Look at the src/Machine/Machine.sgi_mpich and do the same for
> your system:
>

Yes. I could compile successfully.So,I can run the sander for prowat.
But, I couldn't run sander for PME on cluster.
But, I can run sander for PME on one machine has two cpu.

>

Thank you.