Re: Compiling Questions

From: Ulf Markwardt (
Date: Thu Feb 08 2007 - 07:01:40 CST

Hi Joshua,

> If you are trying to recompile NAMD with higher levels of optimization, is
> it necessary to recompile charm with the same optimizations?
Probably not. Charm covers the communication part, this is probably not
subject to optimizations. The same holds for tcl.

On the other hand, before running time consuming NAMD simulations, I strongly
recommend you to test different versions of fftw with a couple of compiler

We have actully seen a -O0 generating a faster code than -O3 - it depends on
architecture and comiler. - And on your type of job.

BTW: Is there a NAMD-patch to use ACML or MKL or SCSL instead of fftw?

Kind regards

Dr. Ulf Markwardt
TU Dresden
Center for Information Services
and High Performance Computing (ZIH)
D-01062 Dresden
Phone:    (+49) 351/463-33640
Fax:      (+49) 351/463-37773

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