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OpenFold container#35

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tonykew wants to merge 1 commit intoubccr:mainfrom
tonykew:OpenFold
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OpenFold container#35
tonykew wants to merge 1 commit intoubccr:mainfrom
tonykew:OpenFold

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@tonykew tonykew commented Aug 26, 2025

Use numpy 1.x
Add libaio
x86_64 and ARM64 build working
Ran Inference tests on x86_64 and ARM64
Ran Training on 8 GPU DGX (x86_64) node:
Completed epoch 0 training
Restarted training from epoch 0 checkpoint AOK
Slurm examples for x86_64 and ARM64

NOTE: The following files have "raw" github URLs that will have to be fixed for production:

BUILD-ARM64.md
README.md

Tony

@tonykew tonykew force-pushed the OpenFold branch 2 times, most recently from 77bef86 to 851537c Compare April 9, 2026 15:21
@tonykew tonykew changed the title Initial OpenFold container commit OpenFold container commit Apr 9, 2026
@tonykew tonykew changed the title OpenFold container commit OpenFold container Apr 9, 2026
Use numpy 1.x
Add libaio
x86_64 and ARM64 build working
Unfortunately here are several deprecation and future warnings with
the ARM64 build that cannot be easily supresssed - needs code changes
Prevent attempting to run X86 binaries on ARM64
Create an empty tuning dir for triton
Added a fix for a "df" error when running OpenFold
Ran Inference tests on x86_64 and ARM64
Ran Training on 8 GPU DGX (x86_64) node:
  Completed ephoch 0 training
  Restarted training from epoch 0 checkpoint AOK
Slurm examples for x86_64 and ARM64

NOTE: The following files have "raw" github URLs that will have to be fixed
for production:

BUILD-ARM64.md
README.md

Tony
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