AMBER Archive (2004)

Subject: Re: AMBER: Opteron PMEMD

From: Robert Duke (rduke_at_email.unc.edu)
Date: Thu May 06 2004 - 15:31:46 CDT

Gary -
It SHOULD be possible to use the 32 bit emulation libraries, but first you
have to be sure they are installed on the system. Then, I think you have to
look at the ld man page and use various incantations to get things linked to
32 bit libraries. I DID try all this with pmemd (I am the pmemd author, by
the way) on RHEL v 3, AMD64, and ifc 7.1.038 (if memory serves). In the
timeframe I was doing all this, ifc 8 did not work at all. Now, I had an
absolutely horrible time with machine stability (probably heating), and
though I got everything linked, it was also clear that all the various
pieces had some serious misunderstandings with each other (seg faults).
Maybe it will work now. Anyway that is all I can suggest to try; I got rid
of my opteron after a couple of months of grief, but will come back to
supporting them as something stable gets made available. Someone else from
your company sent me an enthusiastic email about getting this done with my
input, which I replied to, and I never heard from them again. I am hoping
to have access to the new crays running opterons soon for
testing/benchmarking.
Regards - Bob Duke

----- Original Message -----
From: "Gary Waters" <gwaters_at_paracel.com>
To: <amber_at_scripps.edu>
Sent: Thursday, May 06, 2004 2:29 PM
Subject: AMBER: Opteron PMEMD

> Hi,
>
> I have been reading the mail archives, and I am looking for
> someone who has tried to get PMEMD to work on an Opteron (64-bit)
> running RHEL v 3.0 .
>
> I have a few compilers that I have tried to use, like pgi and icc80.
> I saw the news about the patch for icc80 to get Amber8 to work, so
> I patched mine like wise. Still, when I try to compile
> mpich, I have problems with icc and ifc trying to link to 64-bit
> libraries.
>
> Can someone point me in the right direction to get this to work ?
>
> Thanks,
>
> -Gary Waters
>
>
>
>
>
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