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memory available in computer nodes #4297

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cpignedoli opened this issue Aug 10, 2020 · 3 comments · Fixed by nanotech-empa/aiida-nanotech-empa#5 or #5260
Closed

memory available in computer nodes #4297

cpignedoli opened this issue Aug 10, 2020 · 3 comments · Fixed by nanotech-empa/aiida-nanotech-empa#5 or #5260

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@cpignedoli
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in apps/workchains where teh number of computer nodes to be used for a calculation
is determined automatically, it could be useful to know the memory available per node

add memory per node or memory per core in the definition of a new computer

@cpignedoli cpignedoli added the type/feature request status undecided label Aug 10, 2020
@greschd
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greschd commented Aug 10, 2020

One complication here are heterogeneous clusters: memory per node is not always a constant across a single computer.

@cpignedoli
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cpignedoli commented Aug 10, 2020 via email

@greschd
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greschd commented Aug 10, 2020

Yeah, there might absolutely be value in allowing for this even if we don't have a complete solution for the heterogeneous case. For "num_mpiprocs_per_machine" we can also currently only set one default.

I think there are two separate but related issues here:

  • How to specify resources for the heterogeneous case. It probably makes sense to solve this is a consistent way for memory + CPU. The queue seems like the most straightforward way to distinguish them, but I don't know if there might be cases where even a single queue can have different nodes.
  • Adding memory per node: While the previous point is unresolved, a single value per computer still seems valuable. We should just make sure we don't make it harder than necessary to later extend the functionality.

yakutovicha added a commit to nanotech-empa/aiida-nanotech-empa that referenced this issue Aug 23, 2020
This is a temporary fix that let's correctly estimate the number
of nodes for the CSCS supercomputers. The issue here is different nodes
have more or less the same amount of RAM, so the number of CPUs
can't be used as a criterion to select the number of nodes.

Once the following issue is fixed: aiidateam/aiida-core#4297,
we can implement a better mechanism to auto-select the number of nodes.

Co-authored-by: Carlo Pignedoli <carlo.pignedoli@empa.ch>
@yakutovicha yakutovicha reopened this Aug 23, 2020
@yakutovicha yakutovicha added this to the v2.0.0 milestone May 5, 2021
@sphuber sphuber modified the milestones: v2.0.0, Post 2.0 Sep 22, 2021
@yakutovicha yakutovicha self-assigned this Dec 8, 2021
@sphuber sphuber modified the milestones: Post 2.0, v2.0.0 Dec 15, 2021
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