GPU acceleration issue – LAMMPS Beginners

This message was quite clear:
ERROR: GPU library not compiled for this accelerator

So, other than following the doc:
you should also mention the GPU model and what software library you used to drive it (CUDA, HIP, or OpenCL).

Please note also that during runtime the driver for your GPU needs to be compatible with that software library. I don’t believe, for example, that e.g. installing CUDA into Anaconda does anything for the kernel driver.


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