question about fix store/state. Re: ERROR: Expected integer parameter in input script or data file-LAMMPS2015

LAMMPS LAMMPS Mailing List Mirror
1

Hi Axel

I got the problem. but I need to know another thing to use fix store/state.

With the previous LAMMPS versions I have used compute msd and fix store/state (http://lammps.sandia.gov/doc/fix_store_state.htm).

you know that parameter N in new in LAMMPS 2015. and I see “N = 0 for initial store only” in http://lammps.sandia.gov/doc/fix_store_state.htm

this means I have to use N=0 to get the similar results with LAMMPS 2012?

thanks
Saly

fix ID group-ID store/state N input1 input2 ... keyword value ...
2

Hi Axel

I got the problem. but I need to know another thing to use fix store/state.

With the previous LAMMPS versions I have used compute msd and fix
store/state (http://lammps.sandia.gov/doc/fix_store_state.htm).

you know that parameter N in new in LAMMPS 2015. and I see "N = 0 for
initial store only" in http://lammps.sandia.gov/doc/fix_store_state.htm

this means I have to use N=0 to get the similar results with LAMMPS 2012?

why ask a question and risk getting an uninformed guess as an answer,
if you can simply make a quick test and find out the answer with
certainty for yourself?

axel.

3

Hi Axel

My simulation takes long time so it would be better bet to set the correct parameters initially to avoid wasting computation time if it is possible.

Thanks,
Saly

4

Hi Axel

My simulation takes long time so it would be better bet to set the correct
parameters initially to avoid wasting computation time if it is possible.

why do you need to make a test on basic functionality with a
production simulation? that makes no sense.

just set up a small/fast test system (or use one from the examples
directory) and check out whether a command works as expected there.

axel.