[gmx-developers] trouble with g_hbond

[Marc Baaden]

Hi,

I have a bit of trouble running g_hbond on a long trajectory.
It eats a lot (I really men A LOT) of memory, so I have tried
it on my box first (1GB) .. comes to a standstill .. then on
a box with 2GB .. comes to a standstill, too and then on a more
powerful box but different architecture (Sun Solaris), where I
get a 

> Sun Microsystems Inc.   SunOS 5.8       Generic Patch   October 2001
> Arithmetic Exception (core dumped)

with the analysis stopping after
> Found 26514 donors and 16346 acceptors in group 'System'
> Last frame         20 time  200.000
> Found 434554 different hydrogen bonds in trajectory
> Sorting hydrogen bonds
> Thingie 434554

any hints ?

  Marc Baaden

-- 
 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
 mailto:baaden at smplinux.de  - ICQ# 11466242 -  http://www.marc-baaden.de
 FAX/Voice +49 697912 39550  -  Tel: +44 1865 275380  or  +33 609 843217