Re: [AMBER-Developers] Adding fortran module into nab with some catches.

From: Mengjuei Hsieh <>
Date: Thu, 11 Feb 2010 00:29:40 -0800

On Wed, Feb 10, 2010 at 06:58:46PM -0800, Ray Luo wrote:
> Mengjuei,
> You have to focus on the numerical solver in the profiling analysis.
> Initialization is indeed not significant. Also, DMP is probably too
> small to be representative.
> All the best,
> Ray


Nevertheless, I have added a better strategy to initial and to
deallocate the pbsa-related computation inside the nab. It's
already in the CVS but currently disabled, I am going to wait
until I tested the code with pgi compiler and on solaris platform.

Mengjuei Hsieh, Luo Research Group, Molecular Biology & Biochemistry,
University of California Irvine.
AMBER-Developers mailing list
Received on Thu Feb 11 2010 - 01:00:02 PST
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