[lammps-users] got error in compute style stress/atom

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1

Dear lammps users,

I am using the following command for calculating stress
compute 1 all erotate/sphere
compute 2 all stress/atom
thermo_style custom step atoms ke c_1 vol c_2

by using above command I am getting following error:
ERROR: Thermo compute does not compute scalar

and when I am using command:
"compute 1 all erotate/sphere
compute 2 all stress/atom
thermo_style custom step atoms ke c_1 vol c_2[1]"
I am getting following error:
ERROR: Thermo compute does not compute vector

In the manual also same command is given for calculation of stress.
can anyone tell me why I am getting this error.
Thanking you

Shantanu

2

You cannot output per-atom info from a compute via
the thermo output. That can only be written to a dump file.
See the dump custom command.

Steve