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Respect GPU resource specifications #172

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@vadim0x60 vadim0x60 commented Nov 20, 2024

Snakemake supports specification of required GPU resources in the Snakefile, i.e.

resources:
   nvidia_gpu: 1

Before this patch, slurm executor ignored these specifications and unless the user manually made sure this doesn't happen, the jobs would run on CPU nodes.
This is relatively easy to fix, because like Snakemake, SLURM supports per-job GPU resource specification.
This patch ensures that GPU requirements from the Snakefile are relayed to SLURM via

sbatch --gres:gpu

Summary by CodeRabbit

  • New Features

    • Enhanced job submission logic to support GPU resource specifications.
    • Updated submission commands to include GPU count and model when applicable.
    • Improved task setting for SLURM jobs to comply with version 22.05 requirements.
  • Bug Fixes

    • Refined error handling during job submission for clearer feedback on failures.

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coderabbitai bot commented Nov 20, 2024

Walkthrough

The changes involve modifications to the Executor class in the snakemake_executor_plugin_slurm/__init__.py file. The updates enhance job submission logic to support GPU resources by checking for gpu and nvidia_gpu keys and adjusting the submission command accordingly. Additionally, the logic for setting the number of tasks for SLURM jobs has been updated to ensure compliance with SLURM version 22.05, which requires the --ntasks option for all submissions. Error handling during job submission has also been improved for better clarity on failures.

Changes

File Change Summary
snakemake_executor_plugin_slurm/__init__.py Enhanced job submission logic for GPU resources, updated task settings for SLURM compliance, and refined error handling.

Sequence Diagram(s)

sequenceDiagram
    participant Job as JobExecutorInterface
    participant Executor as Executor
    participant SLURM as SLURM System

    Job->>Executor: Submit Job
    Executor->>Executor: Check for GPU resources
    alt GPU resources found
        Executor->>SLURM: Submit with --gres=gpu:<count>
    else No GPU resources
        Executor->>SLURM: Submit without GPU
    end
    SLURM-->>Executor: Job ID
    Executor-->>Job: Return Job ID or error
Loading

🐇 "In the land of SLURM, where jobs take flight,
With GPUs added, they shine so bright.
Tasks now aligned, with options galore,
Error messages clearer, we can explore!
Hopping through changes, we celebrate cheer,
For the world of computing, we hold dear!" 🌟


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Actionable comments posted: 1

🧹 Outside diff range and nitpick comments (1)
snakemake_executor_plugin_slurm/__init__.py (1)

195-196: Refactor Suggestion: Use startswith() Method for String Prefix Check

For better readability and to handle strings shorter than 7 characters without error, use the startswith() method instead of slicing when checking the GPU model prefix.

Apply this diff:

-        if gpu[:7] == "nvidia-":
+        if gpu.startswith("nvidia-"):
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Review profile: CHILL

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Reviewing files that changed from the base of the PR and between 531ebc6 and ffe5273.

📒 Files selected for processing (1)
  • snakemake_executor_plugin_slurm/__init__.py (1 hunks)

snakemake_executor_plugin_slurm/__init__.py Outdated Show resolved Hide resolved
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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)
snakemake_executor_plugin_slurm/__init__.py (1)

189-197: LGTM! GPU resource handling looks good.

The implementation correctly handles GPU resource specifications and follows SLURM's GRES format requirements. Good job on supporting both generic "gpu" and NVIDIA-specific "nvidia_gpu" resource keys.

Consider adding input validation and documentation:

 gpu_count = job.resources.get("gpu", job.resources.get("nvidia_gpu", -1))
+# Validate gpu_count if specified
+if gpu_count != -1 and gpu_count <= 0:
+    raise ValueError(f"Invalid GPU count specified: {gpu_count}. Must be positive.")
 if gpu_count != -1:

Also consider adding a comment explaining the dual key support:

+# Support both generic 'gpu' and backward-compatible 'nvidia_gpu' resource keys
 gpu_count = job.resources.get("gpu", job.resources.get("nvidia_gpu", -1))
📜 Review details

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Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between ffe5273 and 4069c08.

📒 Files selected for processing (1)
  • snakemake_executor_plugin_slurm/__init__.py (1 hunks)
🔇 Additional comments (1)
snakemake_executor_plugin_slurm/__init__.py (1)

188-197: Verify GPU allocation behavior with SLURM.

The GPU resource handling is well-integrated with the existing SLURM workflow. However, it would be good to verify the behavior when combined with other resource specifications.

✅ Verification successful

GPU resource handling is correctly integrated with SLURM specifications

The implementation follows SLURM's standard resource specification patterns:

  • Correctly handles both generic GPU requests (gpu count) and NVIDIA-specific requests (nvidia_gpu)
  • Properly formats --gres=gpu specifications with optional GPU model
  • Integrates well with other resource specifications (placed between node specification and task count)
  • Follows SLURM's expected syntax for GPU resource allocation
🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Check for any existing GPU-related configurations or constraints in SLURM

# Check if any partitions are configured for GPU access
echo "=== Checking GPU partitions ==="
sinfo -o "%P %G" | grep -i "gpu"

# Check for any GPU-related constraints
echo "=== Checking GPU constraints ==="
sinfo -o "%P %F" | grep -i "gpu"

# Look for any existing GPU resource specifications in job templates or configurations
echo "=== Checking for GPU resource patterns in configuration files ==="
fd -e conf -e cfg . | xargs rg -l "gres.*gpu"

Length of output: 535


Script:

#!/bin/bash
# Let's analyze the codebase for GPU-related resource handling patterns

# Check for GPU resource handling patterns in Python files
echo "=== Checking GPU resource handling patterns ==="
rg -A 3 -B 3 "gres.*gpu" 

# Look for other GPU-related resource configurations
echo "=== Checking other GPU-related configurations ==="
rg -A 3 -B 3 "gpu_|nvidia_gpu"

# Check for SLURM resource specification patterns
echo "=== Checking SLURM resource specification patterns ==="
rg -A 3 -B 3 "(--gres|--gpus)"

Length of output: 3248

@cmeesters
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cmeesters commented Nov 21, 2024

Thank you for this PR.
There is some misunderstanding:

  • not all GPUs are nvidia
  • not all clusters work with --gres, but I concede, that this is meanwhile almost an issue of the past.
  • you could work with slurm_extra:
resources:
        slurm_extra="'--gres:gpu:1'"

I will only approve this particular PR, if it becomes a) generic (dropped nvidia specialities) and b) supports a --slurm-... flag and c) reflects the changes in the docs. As this is easy enough: Shall I do a new PR, or will you refactor yours?

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Closed in favour of #173

@cmeesters cmeesters closed this Nov 25, 2024
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2 participants