Accelerating (spc EAM) on Intel MICs

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1

Dear all,

I’ve recently had the chance to run lammps on a cluster sporting intel-mic accelerators.

I wanted to try the Intel package, but when I run the simple LJ test I got this error:

ERROR: Offload for lj/cut/intel is not yet available. Set balance to 0. (…/pair_lj_cut_intel.cpp:337)

After a quick search on the net I saw that there haven’t been many patches, so I was wondering if I should try running the kokkos version instead. I’d be mainly interested in accelerating EAM potentials.

Do you have any advice you can share?

Best regards and thank you very much,

ALS

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Alessandro,

There is a Kokkos version of EAM. I haven’t yet run it on the intel-mic, so I would be interested in how it performs. Keep in mind that Kokkos is still under development. More benchmarking is on the to-do list.

Stan