[MMTK] Normal Modes for protein complexes

Kenneth Geisshirt kenneth@geisshirt.dk
Wed, 27 Feb 2002 12:09:29 +0100 (CET)

On 27 Feb 2002, Konrad Hinsen wrote:

> If you have the memory (2 GB for the Hessian matrix alone), it should
> work (assuming that the eigenvalue routines in LAPACK can handle it, I
> never tried such a large system because I don't have the memory).

During the upcoming weekend LinuxForum 2002 (the annual Linux
conference in Denmark) will take place. I'm in charge of the demonstration
of high end computers, and Dell will borrow me a 4x Itanium with 12 GB
memory. I will happily install MMTK on that computer and run your
calculation as a benchmark.

How well parallellized is MMTK? And Konrad, do you have a 64 bits port?


Kenneth Geisshirt, M.Sc., Ph.D.         http://kenneth.geisshirt.dk
Grøndals Parkvej 2A, 3. sal                    kenneth@geisshirt.dk
DK-2720 Vanløse                                     +45 38 87 78 38