You could also try the Kokkos version of reax/c–it is more memory robust.
Stan
You could also try the Kokkos version of reax/c–it is more memory robust.
Stan
Hello Dear lammps users,
It’s a mistake in my input file that I had corrected it. After these improvements -Dear Ray Shan and your suggestions- on my input file, I have received that error! Now I have removed the command “fix 4 all reax/c/species 1 1 1 species.txt” from my input file and its working until now without any error. I will wait to see what happens!
I will try the Kokkos version of reax/c.
Thank you for your helps.
Mohammad Ebrahim Izadi