Claude-skill-registry 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.

install

source · Clone the upstream repo

git clone https://github.com/majiayu000/claude-skill-registry

Claude Code · Install into ~/.claude/skills/

T=$(mktemp -d) && git clone --depth=1 https://github.com/majiayu000/claude-skill-registry "$T" && mkdir -p ~/.claude/skills && cp -r "$T/skills/data/dqmc-run" ~/.claude/skills/majiayu000-claude-skill-registry-dqmc-run && rm -rf "$T"

manifest: skills/data/dqmc-run/SKILL.md

Run Simulations

Inputs

HDF5 simulation file(s) from the dqmc-generate and dqmc-parameter-scans skills
Binary at
```
build/dqmc
```
, worker utility from
```
dqmc-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 (
```
-s
```
flag)
Run multiple workers on the same file
Use manual shell loops for 2+ files (prefer
```
dqmc-util enqueue
```
+
```
dqmc-util worker
```
)