RE: amber-developers: Compile AMBER9 on SGI

From: Wu, Xiongwu \(NIH/NHLBI\) [E] <"Wu,>
Date: Wed, 9 Nov 2005 07:58:04 -0700

Dave and Ross,

Many thanks for teaching me the way to get around the problem. I will
follow your suggestions to proceed installation on SGI.

Thanks!

Xiongwu


> -----Original Message-----
> From: David A. Case [mailto:case.scripps.edu]
> Sent: Tuesday, November 08, 2005 10:07 PM
> To: amber-developers.scripps.edu
> Cc: kfwong.hec.utah.edu
> Subject: Re: amber-developers: Compile AMBER9 on SGI
>
>
> On Tue, Nov 08, 2005, Ross Walker wrote:
> >
>
> > I think this can be done with pointers instead of
> 'traditional' allocatable
> > arrays. E.g.
> >
> > type chang_miller_type
> > _REAL_, allocatable :: q( :)
> > _REAL_, allocatable :: d( :)
> > _REAL_, allocatable :: k(:,:)
> > .
> > .
> > .
> > end type
> >
> > becomes:
> >
> > type chang_miller_type
> > _REAL_, pointer :: q( :)
> > _REAL_, pointer :: d( :)
> > _REAL_, pointer :: k(:,:)
> >
> > Any volunteers for going through all the evb code???
>
> OK....I gave it a try, changing evb_vars.f and nose_hoover.f.
>
> This allows sander to compile under sgi_mips (non-parallel),
> so should help
> out Xiongwu.
>
> I haven't yet tested EVB to be sure that it works. One
> problem is that the
> EVB test cases print out to ridiculous precision, so
> something that looks like
> a FAILURE might still be OK. I'll work on this soon. But I
> also know that
> Wei and Kim will be working on the EVB code over the next few
> days anyway,
> so others should probably let them do their thing and not
> worry about EVB
> until that is completed.
>
> ....dac
>
Received on Wed Apr 05 2006 - 23:49:50 PDT
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