[lammps-users] LJ/cut/gpu - Cannot build cell list


I have an input file that runs properly with lj/cut but when I replace the
"pair_coeff" line with "lj/cut/gpu" the simulation does not proceed and I
get an error.

"lmp_serial: pair_gpu_cell.cu:486: void build_cell_list(double*, int*,
cell_list&, int, int, int, int, int, int, int, int): Assertion `err ==
cudaSuccess' failed.

Attached is the input file and data file for reference.

Jan-Michael Carrillo

in.test (831 Bytes)

SEsystem.dat (415 KB)

FYI, known issues with the GPU modules in LAMMPS can be
seen on this webpage:
if your problem is not yet covered (and it seems
like this is the case, even though there is one cell-list
related issue already), please add a description and
attach your files to the issue. that will make it easier
for the people involved to keep track of problems.


Mike - do you want to look at this?