|From:||"Smith, Micholas D." <smithmd@...79...>|
|Date:||Wed, 14 Jun 2017 14:11:13 +0000|
I am trying to regenerate the reax/c and reax benchmarks ( http://lammps.sandia.gov/bench.html#accelerator ) for the new knights landing phi, and I keep getting the following error:
ERROR: Non-existent ReaxFF type (../pair_reax_c.cpp:320)
I have a smaller system (using Zn and H2O) that runs fine, but I wanted to actually look at the scaling of reax/c on the Cori supercomputer. Any ideas?
Micholas Dean Smith, PhD.
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics