Re: amber-developers: Compile AMBER9 on SGI

From: David A. Case <case.scripps.edu>
Date: Tue, 8 Nov 2005 20:07:21 -0700

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 - 23:49:51 PDT
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