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[lammps-users] Fw: Reax/c benchmark on KNL fails with error: Non-Existent ReaxFF type
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[lammps-users] Fw: Reax/c benchmark on KNL fails with error: Non-Existent ReaxFF type


From: "Smith, Micholas D." <smithmd@...79...>
Date: Wed, 14 Jun 2017 14:11:13 +0000

Dear lammps-users,


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


===================
Micholas Dean Smith, PhD.
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics