Hello, I use the AIREBO potential too and the LJ flag ussually ON and it works fine. Have you run a test without the TERSOFF potential and the hydridization?
Regards
Yes, I’ve tried and it works perfectly fine without hybridization and without the Tersoff potential on the cluster. But, with hybridization with an LJ and a Tersoff potential, and with the LJ option switched on, the program simply does not run on the cluster. However, it runs perfectly okay on a single serial processor.
Could this be an MPI issue? Anyone out there who has had a similar experience?
Zhun-Yong