atom_style full not allowed when enabling GPU?

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1

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

2

I assume you included the molecular package?

From http://lammps.sandia.gov/doc/atom_style.html “The angle, bond, full, and molecular styles are part of the MOLECULAR package.”

wolfgang

3

Hi, Wolfgang,

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

LC Liu