Re: Re: 答复: compilation of namd

From: Axel Kohlmeyer (
Date: Thu May 12 2011 - 08:34:14 CDT

> Thanks for the information. I 'll test if namd performs better with -O2 and -
> no-vec then with my current flags and leave it that way.

i would do one more iteration with and without -ansi-alias.
this flag is not enabled by default (strangely, considering
all the other quite aggressive and less promising flags
that are enabled by default), but would give the compiler
more freedom to optimize memory accesses, which is
almost always helpful (if the code is written according to
ANSI standard, that is).


> Cheers,
> Bjoern
> --
> Bjoern Olausson
> Martin-Luther-Universitt Halle-Wittenberg
> Fachbereich Biochemie/Biotechnologie
> Kurt-Mothes-Str. 3
> 06120 Halle/Saale
> Phone: +49-345-55-24942

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:15 CST