Cuda error

Dear all,
I am running an MD simulation with lammps .The potential is lj/cut, so I want to use CUDA to reduce the calculating time. When I parallelly calculate my model using command “mpirun -np 4 lmp_machine -c on -sf cuda”, the application will be aborted after some steps, with the error “Cuda error: Cuda_Pair: Kernel execution failed in file ‘cuda_pair.cu’ in line 801 : an illegal memory access was encountered”. But if I use “mpirun -np 1 lmp_machine -c on -sf cuda”, my computing task can be accomplished. My program is in attachment.
May I have your suggestions ? Many thanks for your reply .

in.crack (3.18 KB)

Dear all,
    I am running an MD simulation with lammps .The potential is lj/cut, so I
want to use CUDA to reduce the calculating time. When I parallelly calculate
my model using command "mpirun -np 4 lmp_machine -c on -sf cuda", the
application will be aborted after some steps, with the error "Cuda error:
Cuda_Pair: Kernel execution failed in file 'cuda_pair.cu' in line 801 : an
illegal memory access was encountered". But if I use "mpirun -np 1
lmp_machine -c on -sf cuda", my computing task can be accomplished. My
program is in attachment.
     May I have your suggestions ? Many thanks for your reply .

the USER-CUDA package is unmaintained, deprecated, and has been
removed from recent LAMMPS versions.
please use either the GPU or KOKKOS package instead. it is advisable
to upgrade to the latest LAMMPS release as well.

axel.