Dumping ke/atom to cfg file

Hi,
i have two separate and independent questions.
Firstly, I'm using the attached code to compute Kinetic energy per atom and then averaging the compute using fix ave/atom. The thus average ke/atom is then dumped into a cfg file. I need to use these ke/atom values to calculate temperature distribution in different regions on my system and thus calculate kapitza resistance. I wanted to know if the ke/atom dumped into cfg file are scaled? if so, how do i unscale it?

Secondly, if i try to print the fix ave/atom to a file, it returns me an error - "Illegal fix ave/atom command (../fix_ave_atom.cpp:112)". I'm not sure what i'm doing wrong there. This has a separate input file. The additional keywords are in the log.lammps file so i did not attached the other input file to save from confusion. Find attached the log.lammps file with error.

silicon_nvetry2_flux.in (1.68 KB)

log.lammps (1.46 KB)

Scaled by what? The manual page for compute ke/atom will tell you exactly what value to expect. I’d guess that fix ave/atom doesn’t support ave running. The manual page doesn’t say that it does.

Hi,
i have two separate and independent questions.
Firstly, I'm using the attached code to compute Kinetic energy per atom and
then averaging the compute using fix ave/atom. The thus average ke/atom is
then dumped into a cfg file. I need to use these ke/atom values to
calculate temperature distribution in different regions on my system and
thus calculate kapitza resistance. I wanted to know if the ke/atom dumped
into cfg file are scaled? if so, how do i unscale it?

scaled by what?

Secondly, if i try to print the fix ave/atom to a file, it returns me an
error - "Illegal fix ave/atom command (../fix_ave_atom.cpp:112)". I'm not
sure what i'm doing wrong there. This has a separate input file. The
additional keywords are in the log.lammps file so i did not attached the
other input file to save from confusion. Find attached the log.lammps file
with error.

fix fixke all ave/atom 20 25 500 c_ke ave running #file keperatom.dat
overwrite mode vector
ERROR: Illegal fix ave/atom command (../fix_ave_atom.cpp:112)

there is no "ave running" option to fix ave/atom
http://lammps.sandia.gov/doc/fix_ave_atom.html