Re: [AMBER] ambertools 1.4, tests

From: Alan <alanwilter.gmail.com>
Date: Thu, 6 May 2010 18:58:57 +0200

Thanks Ben,

BTW, I've heard here in the list that MPICH2 is the one to use with Intel,
but then I didn't try this.

Cheers,
Alan

On Thu, May 6, 2010 at 18:26, Ben Roberts <roberts.qtp.ufl.edu> wrote:

> Hi Alan,
>
> On 6/5/2010, at 10:18 a.m., Alan wrote:
>
> > Hi Ben,
> >
> > As far as I remember, you're trying to install AT1.4/Amber11 on a Mac
> with
> > Intel Compilers?
> >
> > Have you tried with GNU compilers first? Are you using Fink or Macports?
> >
> > In the linked email I didn't give some pertinent details for those
> > installing Amber with Fink.
> >
> > For sure that for production I wouldn't use Intel compilers right now and
> it
> > doesn't seem you miss much with GNU.
>
> Thanks for the helpful response. A bit more Googling revealed the problem.
> It seems that Intel compilers have certain issues with Open MPI. When that's
> fixed is, I guess, up to the Intel programmers (or maybe the Open MPI guys).
>
> In the meantime, MPICH2 gives much better outcomes, so I've switched to
> using that for the time being.
>
> I'll put something up at the Amber On Mac blog presently, too.
>
> Cheers,
> Ben
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 06 2010 - 10:00:04 PDT
Custom Search