atom_style full not allowed when enabling GPU?

Dear LAMMPS developers and users,

I am trying to employing GPU calculation to my current case. However, it shows that “ERROR: Invalid atom style” if I specify atom style to be full. Am I lacking of any package or comment to be added?

BTW, I run the test case successfully, so the package is correctly installed. The test case has atom style as atomic.

Thank you for the help.

LC Liu

I assume you included the molecular package?

From “The angle, bond, full, and molecular styles are part of the MOLECULAR package.”


Hi, Wolfgang,

Thank you for the help. Yes indeed we forgot to include the molecule package when compiling.

LC Liu