Dear lammps-users,
I want to use GPU accelerator to improve the performance of gcmc calculation in lammps-3Mar20. And the fix rigid was include in fix gcmc. However an error “Cannot use neigh_modify exclude with GPU neighbor builds” was triggered. I am sure that the option exclude was turned off in command neigh_modify. When I cancel the command fix gcmc, it works. So, I think the error was triggered by fix gcmc. I am not sure which option in gcmc include the neigh_modify exclude. My gcmc command line is “fix s8sorption s8 gcmc 1000 100 0 0 9999999 363.2 -0.8 0.5 mol s8mole rigid myrigid pressure 60 fugacity_coeff 4.1319809799893635e-08 group s8 grouptype 3 s8 full_energy tfac_insert 1”.
What should I do to correct it? Could you give me some suggestions? Thank you!
Best regards.
Dongbo Wang