Fail to run lammps+kokkos+mace

[liubaoshuai1402]

Dear developers,

I have tried to build and install lammps+kokkos+mace in many times and tried different computers.
But when I run the builded LAMMPS, it always reports the same errors.
This problem troubles me for almost one month ! I really hope getting your help !
There are two related log file:
slurm-82285.out.txt
log.txt

The core error appearing at slurm.out is followed:
Exception: The specified pointer resides on host memory and is not registered with any CUDA device.
Exception raised from getDeviceFromPtr at /opt/conda/conda-bld/pytorch_1729647429097/work/aten/src/ATen/cuda/CUDADevice.h:16 (most recent call first):
frame #0: c10::Error::Error(c10::SourceLocation, std::string) + 0x96 (0x14c42a599446 in /home-ssd/Users/nsgm_lbs/.conda/envs/python311/lib/python3.11/site-packages/torch/lib/libc10.so)

I really don't know which step goes wrong ! Is I don't activate my CUDA correctly?

Thanks!

[liubaoshuai1402]

This error is caused by I have used too large timestep in the input file of lammps. Be careful of the unit !