[lammps-users] Multiple log file outputs?

Hello Lammps users,

I have a fairly large number of average quantities I would like to output. Currently I am using the thermo_style custom command to output all the averages to the log file.

For example my thermo_style custom command is:

thermo_style custom step pe ke etotal press temp c_c8 c_c1 c_c2 c_c3 c_c4 c_c5 c_c6 c_c7 c_c9[1] c_c9[2] c_c9[3]

As you can see it is pretty wide, and if I want to scroll through it line by line, it takes up almost the entire width of my 24" monitor. For this example I’d like to break it up into three files as such:

File 1: log.energy with outputs step pe ke etotal press temp
File 2: log.temperature with outputs step c_c8 c_c1 c_c2 c_c3 c_c4 c_c5 c_c6 c_c7
File 3: log.force with outputs step c_c9[1] c_c9[2] c_c9[3]

Is this possible directly from lammps? These are not per atom quantities so I can’t use the dump command. Obviously I can parse the data with perl but I was looking for a one-stop solution.

Also, thanks Steve for answering my COM question yesterday. I got my sim up and running in no time.

Dave Schall

hello dave,

Hello Lammps users,

File 1: log.energy with outputs step pe ke etotal press temp
File 2: log.temperature with outputs step c_c8 c_c1 c_c2 c_c3 c_c4 c_c5 c_c6
c_c7
File 3: log.force with outputs step c_c9[1] c_c9[2] c_c9[3]

Is this possible directly from lammps? These are not per atom quantities so
I can't use the dump command. Obviously I can parse the data with perl but I
was looking for a one-stop solution.

have you checked out the "print" fix?

cheers,
   axel.

You can use as many fix ave/time commands as you like to output
various quantities to files, time averaged or not.

Steve