Why the temperature of Fix rigid/nve withlangevin dynamics is zero?

Hi Axel

Thanks for your response, again.

I checked the data and in file again (attached), I do not find any problems.
When the program was performed at the line of the velocity command, an warning information " Can not count rigid body degrees of freedom before bodies are initialized" was given.

I have checked the line in fix rigid for this error. I read that " cannot count DOF correctly unless setup_bodies_static() has been called".

It seems that the subfunction of setup_bodies_static() does not be called when performing the fix/rigid command.

I have perform the example of rigid provided by LAMMPS. It works well.
However, for my case, the rigid body consists of more than 100 atoms. The error information appears.

I have no idea that it’s the problem of my data file or the bug of program. I provide the data and in files in attachment.

I need further help to deal with it.

Thanks again.

test.lammpstrj (750 KB)

in.dipole (793 Bytes)

Hi Axel

Thanks for your response, again.

I checked the data and in file again (attached), I do not find any problems.

there is no data file attached.

When the program was performed at the line of the velocity command, an
warning information " Can not count rigid body degrees of freedom before
bodies are initialized" was given.

I have checked the line in fix rigid for this error. I read that " cannot
count DOF correctly unless setup_bodies_static() has been called".

It seems that the subfunction of setup_bodies_static() does not be called
when performing the fix/rigid command.

do you have any proof for that statement? when i look at the sources,
it *has* to be called.

I have perform the example of rigid provided by LAMMPS. It works well.
However, for my case, the rigid body consists of more than 100 atoms. The
error information appears.

you didn't specify which version of the code you are using. are you
using the up-to-date version? nobody wants to chase an elusive bug
that has already been fixed.

I have no idea that it's the problem of my data file or the bug of program.

that can be easily assessed by removing as many statements from your
input as possible and then adding them back individually and - if
possible - in different order until you have determined the real
trigger.

I provide the data and in files in attachment.

I need further help to deal with it.

until there is a simple way to reproduce it and you have conclusive
proof that the current version is still at fault, you will have to
work on it yourself.