Re: namd and fftw

From: Joachim Hein (
Date: Tue Mar 15 2005 - 03:56:13 CST

On Mon, 14 Mar 2005, Michel Espinoza-Fonseca wrote:

> Hi all, I have a technical question. If I'll run NAMD using MPI, do I
> need to compile namd with the MPI-compatible version of FFTW? I
> experienced some problems running namd using MPI (after few seconds my
> job is 'suspended'), and guess it can be the problem trying to run it.
> I'll really appreaciate your suggestions. Cheers, Michel

No, you need a plain seriel version of FFTW2. No part of NAMD is
interfacing into MPI. NAMD is using Charm++ for its communications and
does not care how Charm++ is build. If you build Charm++ ontop of MPI
then Charm++ is the only part calling MPI.

So this can't be the problem.

Best of luck

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