Re: amber-developers: AMBER 9 Problems on IRIX and ALTIX

From: Xuebin Qiao <xbqiao.gmail.com>
Date: Wed, 3 May 2006 09:39:40 +0800

Hi,

I think this kinda bug is probably caused by rounding error problem.
According to the scene described above, it was likely that a previous
rounding error was propagated into the cosine formula. Maybe it wise to
check whether there are some careless storage size change in antecedant
code, say, single to double.

All the best

qxb

On 5/3/06, David A. Case <case.scripps.edu> wrote:
>
> On Tue, May 02, 2006, Ray Luo wrote:
>
> > Okay, here is the patch file for Amber8. It's in a different file,
> > pb_force.f.
>
> Thanks!....dave
>
>


--
... there have been two really clean,
consistent models of programming so far:
the C model and the Lisp model.
These two seem points of high ground,
with swampy lowlands between them.
                                      --Paul Graham
Received on Wed May 03 2006 - 06:07:12 PDT
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