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ECP-copa / CabanaMD

Molecular dynamics proxy application based on Cabana
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[updated] Incorporate Cajita / Cabana::Grid load balancer #113

Closed cz4rs closed 2 weeks ago

cz4rs commented 3 months ago

Updated version of #104. I haven't touched the logic of it all, just a rebase, clean-up and dropping some redundant changes.

cz4rs commented 3 months ago

@streeve @aetx This is an updated version of PR #104 (see PR description for an overview of changes). The CI is pending approval, but based on the runs in my fork (https://github.com/cz4rs/CabanaMD/pull/1), all builds are passing. Was there any reason that #104 was not merged?

For the context, we are exploring using CabanaMD as a benchmark for load balancing with communication.

aetx commented 3 months ago

If I remember correctly, the only ugly hack was in cabanamd_impl.h to create an unbalanced load. By default, the whole system is uniformly filled (see https://github.com/ECP-copa/CabanaMD/pull/104#issuecomment-1030589568).

I don't remember another reason for it being not merged.

streeve commented 1 month ago

Sorry I lost track of this PR and thanks very much for pushing this forward. Would you be okay with merging your general (and very helpful) changes in one PR, then merging the load balancing in a second?

cz4rs commented 1 month ago

Sure, I will split the changes. Please note that I'm on vacation now, so this will need to wait a bit (I'll be back on September 9th).

pt., 30 sie 2024, 16:12 użytkownik Sam Reeve @.***> napisał:

Sorry I lost track of this PR and thanks very much for pushing this forward. Would you be okay with merging your general (and very helpful) changes in one PR, then merging the load balancing in a second?

— Reply to this email directly, view it on GitHub https://github.com/ECP-copa/CabanaMD/pull/113#issuecomment-2321392846, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABDMTPPUTPIEXHUC6CBM473ZUB4ULAVCNFSM6AAAAABJZQHOIWVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDGMRRGM4TEOBUGY . You are receiving this because you authored the thread.Message ID: @.***>

cz4rs commented 3 weeks ago

@streeve Please have a look. This is pretty much just a cleaned up version of #104. I have rebased this on top of master and cleaned up my commits a bit.

I have some more changes (extending LAMMPS commands support) in https://github.com/DARMA-tasking/CabanaMD/pull/3, I will post those in a separate PR.

cz4rs commented 2 weeks ago

@streeve Ping