spoel at xray.bmc.uu.se
Tue Jul 29 19:59:00 CEST 2003
On Tue, 2003-07-29 at 19:20, Alberto.Imparato at na.infn.it wrote:
> Hi all
> I'm simulating a system with 1024 DPPC
> and 23552 SOL.
> I want to plot the coordinates of my system, so I run
> g_traj -f MD -s MD -ox
> after selecting the group I want to plot (1=DPPC),
> the machine gets very slow and then the program
> exits with a "killed" message, without writing
> anything in the coord.xvg file.
> In my mdp file I set
> nstxout = 500
> Has anybody an idea about this problem?
How big is the trj/xtc file?
Otherwise the program is not very complicated, so have a look at the
source code or try to run it in the debugger.
The message you mention usually means out of memory.
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Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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