Problem with atom_style

Submitted by nicolasoviedoc on Thu, 09/03/2015 - 19:04

I'm trying to run a compilation using a hybrid granular molecular atom_style, but when i run LIGGGHTS, this error appears:

ERROR: Invalid atom_style command (../atom_vec.cpp:72)

I'm trying to solve this problem but even reading the documentation, i cannot find a solution.

PD: I'm using the 3.2.0 LIGGGHTS version

Cheers, Nicolás

Forums:

tapsab | Fri, 09/04/2015 - 04:02

Nicolas,
My guess is you did not install the "molecule" package when you installed ligghts. To install the molecule package, just type "make yes-molecule" and then install again.

Best,
Tapan

nicolasoviedoc | Fri, 09/04/2015 - 04:41

I already did that in my laptop and the PC that use to run simulations (both with LIGGGHTS 3.2) and still shows the same error. what could it be the problem?

Daniel Queteschiner | Fri, 09/04/2015 - 09:20

From a quick test it looks like it should work fine in 3.2.0. Have you tried to clean any old object files by using
make clean-all
and then recompile?

nicolasoviedoc | Fri, 09/04/2015 - 12:50

I use make clean-all in the SRC directory and then use make yes-molecule and then make g++, but still doesn't recognize the command

ckloss's picture

ckloss | Mon, 09/07/2015 - 14:46

I can not reproduce the error at my end. Can you confirm atom_vec_molecule.h/cpp files are in place in your SRC directory?

Christoph

nicolasoviedoc | Mon, 09/07/2015 - 15:52

I mean, exist any form to get that file?, like downloading for example?

Daniel Queteschiner | Mon, 09/07/2015 - 17:56

The command make yes-molecule should actually copy the files from the src/MOLECULE folder to the src folder. That's how they get included in the compilation process