KOKKOS installation and testing

Hi guys!

Can someone help me with kokkos installation?
I install kokkos with kokkos-openmp.cmake and
now trying to find out how can I test it.

Can someone give me an advice?

Thank you so much in advance!

The simplest test would be to try run the in.lj input in the bench folder.
The KOKKOS section of the documentation about Accelerator packages has information about how to enable and configure Kokkos at runtime.

What other of the inputs you can run the same way, depends on which packages you have included in your executable.

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Thank you so much!

In a nutshell, you add -k on t 4 -sf kk to your command line for 4 OpenMP threads. See the doc page Axel mentioned: 7.4.3. KOKKOS package — LAMMPS documentation and package command — LAMMPS documentation.

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Sorry, but until you explain what is confusing and where you have problems, what the output of your cmake configuration commands and also compiler and cuda toolkit versions you are using, there is little that I can advise that is not already explained at great length and with lots of details in the LAMMPS manual.

Please understand that this forum is not a “validation service” or “back insurance”. I don’t have the time for that and neither do others.

That is your job anyway. In the end you are responsible if there is something wrong, and you will be the person affected, so it doesn’t matter whether I give you a “yay” or “nay”. I may just be as wrong as you and I know very little about your machine, environment, and cannot run your executable to see problems first hand. All I have to go on is hearsay and - same as in a criminal court - that has not much value.

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What is included in LAMMPS is listed in the documentation. You need to check it out yourself.
LAMMPS has too many features for a single person to remember all details by heart. I would have to look it up in the manual myself.

This seems to be within the Kokkos library configuration. That is not something the LAMMPS developers have much control over.

My suggestion would be to drop the Intel compiler (not much benefit from that anyway) and try with a sufficiently recent GCC compiler (the default GCC on RHEL/CentOS 7 is not sufficient to compile KOKKOS).