Harden data-pipeline reliability and CLI failure modes - #705
Open
Ayush7614 wants to merge 1 commit into
Open
Conversation
Fail early on missing HMMER binaries, missing GPUs, and empty input dirs; clean up sharded-search temp dirs on failure; share/close PDB structure stores; and make Hmmsearch CPU count configurable.
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Summary
Nonepreviously caused a crypticTypeErrorinos.path.exists), when--jax_backend=gpufinds no GPUs / an out-of-range--gpu_device, and when--input_dircontains no JSON inputs.try/finally), instead of leaking large temp trees after shard errors.StructureStoreper PDB path and addclose()/ context-manager support so tar-backed stores do not accumulate open file handles across sequences.--hmmsearch_n_cpu, defaultmin(cpu_count, 8)) instead of hardcoding--cpu 8; raise Jackhmmer/Nhmmer CPU lower bounds from 0 to 1.pipeline_reliability_test.py, 8 tests, all passing).Why
These are independent reliability gaps that hurt local installs and batch/sharded runs. None of them are covered by existing open/closed issues; they improve real failure modes and resource hygiene without changing model behavior.
Test plan
python src/alphafold3/data/pipeline_reliability_test.py— 8/8 passed--run_data_pipeline=true— expect clear binary-missing error--jax_backend=gpuwith no GPU — expect clear no-device error--hmmsearch_n_cpu=Nis forwarded to the hmmsearch command line