AMBER Archive (2008)

Subject: Re: AMBER: AMD Opteron: compiler recommendations?

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Sat Apr 26 2008 - 02:01:46 CDT

There must be the comparison you are looking for on the Amber archives. I remember that a comparison of Intel with other compilers for dual-opteron was posted, and Intel was scored very high. As Intel is free for non commercial use, I choose Intel for Amber and OpenMPI and found Amber running very fast. As I am no expert, I guess I have no particular settings. On request I can show my settings for a NUMA system of 8 logical opterons. Tell me what you want, unless some other guy can provide the settings far better than I can.
francesco

--- On Fri, 4/25/08, Robert Duke <rduke_at_email.unc.edu> wrote:

> From: Robert Duke <rduke_at_email.unc.edu>
> Subject: Re: AMBER: AMD Opteron: compiler recommendations?
> To: amber_at_scripps.edu
> Date: Friday, April 25, 2008, 3:04 PM
> The pathscale compilers are pretty good for opterons; the
> pgi compilers are used for cray machines running opterons,
> so they must not be too bad on performance either, though
> there has been grief with pgi from time to time (in
> fairness, they have tried to fix their problems, so I
> should give them credit for responding to the past
> problems). With intel, it may be a specific switches
> problem; I last tried running them on opterons a couple of
> years ago. I preferred pathscale for the opteron, but
> there was not a 30% performance differential at that point
> in time (things could have changed). It is completely
> possible that my default ifort settings for the opteron are
> no longer the best choice (sorry, I just didn't get
> around to trying this combination in the current release
> cycle).
> Regards - Bob Duke
> ----- Original Message -----
> From: Sasha Buzko
> To: amber_at_scripps.edu
> Sent: Friday, April 25, 2008 5:54 PM
> Subject: AMBER: AMD Opteron: compiler recommendations?
>
>
> Hi all,
> I've compiled sander.MPI and pmemd using Intel
> compilers and tested them with no apparent errors on AMD
> processors. However, the executables seem to be
> considerably faster on Intel chips (while the hardware is a
> bit better in that case, it shouldn't account for a 30%
> performance increase).
>
> Has anyone had any experience with comparing performance
> of binaries built using different compilers on AMD
> hardware? For instance, how do Pathscale compilers compare
> to Intel on Opterons? I've read reports about the evil
> Intel intentionally under-optimizing code on non-Intel
> chips, but hope it's not the issue here :).
>
> Any recommendations and/or benchmark results would be
> very much appreciated.
>
> Thanks in advance
>
> Sasha

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