An illegal memory access was encountered when running with Kokkos in GPU

Dear Lammps users,

My lammps version is lammps-16Mar18.

I have installed Kokkos package.

And running command is mpirun -np 1 lmp_kokkos_cuda_mpi -k on g 1 -sf kk -pk kokkos newton on neigh half binsize 2.8 -in in.lignin.

There are some warnings:
1.WARNING: Resetting reneighboring criteria for fix reax/c/species (…/fix_reaxc_species.cpp:103)
2.WARNING: Fixes cannot yet send data in Kokkos communication, switching to classic communication (…/comm_kokkos.cpp:465)

And the error report is as follows.

Can you tell me which part is wrong and how to correct it?

Best,

Zhiwei Liu

从zju.edu.cn发来的超大附件

in.lignin (855B, 2020年09月01日 18:08 到期)
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log.lammps (3KB, 2020年09月01日 18:08 到期)
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a) there is no error report included or if it was, it does not show properly
b) the warnings point out that you may experience inferior performance and/or undesired side effects due to using fix reax/c/species
c) you are using a rather old version of LAMMPS. Nobody will take a serious look unless you update to at least the latest stable version.

axel.

Comment out “fix reax/c/species” and try again. If you still get the same temperature spike and termination, it is not related to “fix reax/c/species”.