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Run Simulations
dqmc-run
Execute DQMC Monte Carlo sweeps on HDF5 simulation files. Use when running simulations, checkpointing long runs, using the queue system for multiple files, or checking simulation status.
SKILL.md
Full skill instructions
Run Simulations
Inputs
- HDF5 simulation file(s) from the dqmc-generate and dqmc-parameter-scans skills
- Binary at
build/dqmc, worker utility fromdqmc-util worker
Outputs
- Updated HDF5 files with measurements in
/meas_eqlt/(and/meas_uneqlt/if enabled)
Decision Rules (single vs queue)
- Exactly 1 file: run it directly with
build/dqmc sim_0.h5. - 2+ files: use the queue/worker system (
dqmc-util enqueue+dqmc-util worker) even on a local workstation.- This avoids ad-hoc shell loops, makes restarts/checkpointing consistent, and scales to parallel execution safely.
Procedure
Single file:
build/dqmc sim_0.h5
With checkpointing (long runs):
build/dqmc -s 300 -t 3600 sim_0.h5 # checkpoint every 300 seconds, max runtime 3600 seconds
Multiple files (queue system):
# 1. Add files to queue/ (globs are expanded by Python, so quote them)
dqmc-util enqueue queue 'data/run/bin_*.h5'
# 2. Start workers
dqmc-util worker queue ./build/dqmc -n 8 -s 300 -t 3600 # 8 parallel workers
Multiple files (local temperature scan example):
# enqueue all bins across temperatures
dqmc-util enqueue queue 'runs/pi_pi_U8_6x6/T*/bin_*.h5'
# run N workers in parallel (pick N for your machine)
dqmc-util worker queue ./build/dqmc -n 8 -s 300 -t 3600
Validation (single file)
dqmc-util summary sim_0.h5
For multiple files:
dqmc-util print-n data/run/ # directory paths should end with '/'
Failure Modes
| Symptom | Cause | Recovery |
|---|---|---|
| "opening... failed" | File doesn't exist | Check path |
| NaN in output | Numerical instability | Reduce dt and/or n_matmul. Check parameters |
| Killed by scheduler | Exceeded time limit | Use -t flag, checkpoint enabled |
| Large errorbars | Sign problem | Add more sweeps and/or bins |
Do Not
- Kill running simulations without checkpointing (
-sflag) - Run multiple workers on the same file
- Use manual shell loops for 2+ files (prefer
dqmc-util enqueue+dqmc-util worker)
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