Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion

From: David A Case <>
Date: Mon, 23 Apr 2012 08:22:21 -0400

On Sun, Apr 22, 2012, Jason Swails wrote:

> My personal feeling is that we should
> actually use the real8 constant everywhere, since selected_real_kind() is
> more portable than assuming real(kind=8) is an 8-bit real.

I'm against such a change. Amber routines often call libraries (e.g. blas,
but many others as well) that expect double precision arguments. These would
all start to fail if people start inventing their own real types. You have
already pointed out that the "real8" variable that existed in chamber was
being translated into different types with different compilers. So, in my
view, your suggested change is actually less portable than other alternatives.

I prefer the designation "double precision" for double precision variables,
as is done in most of Amber. This is easily understood by both people and
compilers, and has a 50-year history.


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Received on Mon Apr 23 2012 - 05:30:03 PDT
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