compute pressure- output after every timestep

Hi all,

I am trying to compute pressure and I need output after every timestep so that it will enable me to plot the values. But in my log file, I receive only 1 set of values after the complete simulation is over. I would like to hear some suggestions as to what I can do. Thanks in advance.

Regards,
Muthukumar

Well, the manual is always a good place to start.

http://lammps.sandia.gov/doc/Section_howto.html#howto_15

Hi,

I should have made it more clear. I have read the manuals and tried to output the global values from ‘compute pressure’ using ‘thermo_style’ command. Yet it returns only one set of values after the simulation is completed though i tried ‘dump’ command to output other values like atom position etc. which it rightly does every N steps that I had requested for. Shouldn’t thermo_style return pressure values after every N steps as well?

Thanks,
Muthukumar

have you tried http://lammps.sandia.gov/doc/thermo.html ?..

have you tried LAMMPS Molecular Dynamics Simulator ?..

Hi,

I should have made it more clear. I have read the manuals and tried to
output the global values from 'compute pressure' using 'thermo_style'
command. Yet it returns only one set of values after the simulation is
completed

what did u specify in "thermo N" command??

though i tried 'dump' command to output other values like atom position

etc. which it rightly does every N steps that I had requested for.
Shouldn't thermo_style return pressure values after every N steps as well?

Yes, it should, and it does.!!

Sagar

Thanks a lot, now it works fine.