I am trying to use the hybrid/overlay option in Kokkos. I am using the reax/c and a tabulated potential for the system. I get a cuda runtime error as follows.
terminate called after throwing an instance of ‘std::runtime_error’
what(): cudaDeviceSynchronize() error( cudaErrorIllegalAddress): an illegal memory access was encountered …/…/lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp:119
Traceback functionality not available
This is part of my input script where I specify the potentials.
pair_style hybrid/overlay reax/c NULL checkqeq no table linear 4701
pair_coeff * * reax/c ffield.reax.PtNiCHO_2016 C C C O O
pair_coeff 45 45 none
pair_coeff 45 45 table O2_pot_LAMMPS.dat O2_TRUHLAR 5.0
Also the same setup works with MPI in multiple cpus.
Both the individual potentials also work within Kokkos.
So I think the issue is with the hybrid/overlay option in Kokkos.
I have tried this both in my workstation where I installed the packaged “lammps_kokkos_cuda_mpi” and in Pleiades where I installed the package “lammps_kokkos_cuda_hpempt”. I get the same error.
4th year Graduate student
Computational Kinetics Group (CKG)
Dept of Mechanical Engineering
University of Illinois at Urbana-Champaign
E-mail - [email protected]…1218…
Ph no : +12179795383