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ilyes319 avatar ilyes319 commented on August 24, 2024

Hey @santi921, thank you for your issue.
What branch are you using?

@wcwitt Do you have any idea where this could come from?

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wcwitt avatar wcwitt commented on August 24, 2024

Thanks for reporting. We don't have much experience on other machines yet, so there are bound to be some growing pains.

Just to be clear - when you say it fails without Kokkos too, do you mean with Kokkos installed but not activated? Or with a non-Kokkos build?

Edit: guessing from the files you sent that its the former.

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santi921 avatar santi921 commented on August 24, 2024

I was able to compile it without kokkos as well to the same result

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santi921 avatar santi921 commented on August 24, 2024

Hey @santi921, thank you for your issue. What branch are you using?

@wcwitt Do you have any idea where this could come from?

I have predominantly tested on the multi-gpu branch but I was also getting this issue on the non-kokkos main branch.

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wcwitt avatar wcwitt commented on August 24, 2024

@ilyes319, I would normally use develop (at least that's what our docs say at the moment) ... do you think the multi-gpu branch has everything that is needed? I'm guessing main is insufficient, unless there's been a merge recently.

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wcwitt avatar wcwitt commented on August 24, 2024

@santi921 are you able to run mpirun -np 1 lmp -h successfully? If not, are you able to do so without including the MACE package?

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wcwitt avatar wcwitt commented on August 24, 2024

Hi @santi921 - wondering if there's been any progress here, or if we should close?

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