designsafe-openseespy-s3

designsafe-openseespy-s3#

Basic App to run OpenSeesPy on stampede3.

  • Version: 1.2.10

  • Author: Silvia Mazzoni, DesignSafe (silviamazzoni@yahoo.com)

  • Date: February 10, 2026

  • Runtime: ZIP

  • Execution system: Stampede3 (SLURM)

1. Overview#

designsafe-openseespy-s3 is a lightweight, ZIP-runtime Tapis batch app designed to run OpenSeesPy workflows on Stampede3 through the DesignSafe platform.

The app intentionally keeps configuration minimal while still supporting:

  • Serial Python runs

  • MPI-based Python runs using mpi4py

  • Automatic staging of inputs and outputs

  • Optional module loading

  • Optional pip installs

  • Detailed job summary logging

This app is ideal for:

  • Teaching and tutorials

  • Small–to–moderate OpenSeesPy models

  • Parameter studies

  • MPI-enabled OpenSeesPy workflows

  • Users who want zero manual SLURM scripting

2. What the App Does (Execution Flow)#

When a job starts, the app performs the following steps:

  1. Stages the Input Directory into the job working directory

  2. Loads user-specified TACC modules (via MODULE_LOADS_LIST)

  3. Optionally installs Python packages using pip

  4. Copies the TACC-compiled OpenSeesPy library (OpenSeesPy.so) into the working directory as:

    ./opensees.so

  5. Selects the launcher

    • Serial execution → direct python3

    • MPI execution → ibrun python3

  6. Runs your Python script

  7. Writes a compact, human-readable job summary log

  8. Cleans up temporary OpenSeesPy artifacts

  9. Archives outputs back to DesignSafe storage

No Docker image is used. All execution occurs directly on Stampede3 compute nodes under SLURM.

3. Required Input#

Input Directory (REQUIRED)#

Upload a single directory containing:

  • Your main OpenSeesPy script (.py)

  • Any data files the script reads

  • Optional:

    • requirements.txt

    • auxiliary Python modules

    • model input files

The directory is staged and exposed as:

$PWD/inputDirectory/

Your script is executed from inside this directory.

4. App Arguments (Portal Inputs)#

1. Main Program#

Fixed and hidden

python3

2. Main Script (REQUIRED)#

The filename only of your Python script (must exist inside the Input Directory)

Example:

run_model.py

3. UseMPI (True / False)#

Controls how the script is launched.

UseMPI

Behavior

False

python3 script.py

True

ibrun python3 script.py

Guidance

  • Use True when using:

    • mpi4py

    • OpenSeesPy MPI domain decomposition

  • Use False for:

    • serial scripts

    • concurrent.futures on a single node

5. Environment Variables (Pre-Configured)#

These variables are defined in the app and usually do not need to be changed.

Variable

Default

Purpose

GET_TACC_OPENSEESPY

True

Copies TACC-compiled OpenSeesPy into the job directory

MODULE_LOADS_LIST

python/3.12.11,opensees,hdf5/1.14.4

Modules loaded before execution

PIP_INSTALLS_LIST

mpi4py,pandas,numpy,matplotlib,futures

Python packages installed via pip

You may override these values if needed.

6. Importing OpenSeesPy Correctly#

Because the app injects a TACC-compiled shared library into the working directory, your script must import OpenSeesPy as:

import opensees as ops

or:

import opensees

❌ Do not use:

import openseespy.opensees

unless you intentionally install the PyPI wheel and disable GET_TACC_OPENSEESPY.

7. MPI Usage with OpenSeesPy#

For MPI workflows, your script should explicitly use mpi4py:

from mpi4py import MPI
import opensees as ops

Portal settings:

  • UseMPI: True

  • nodeCount / coresPerNode: set appropriately

The app will automatically launch with:

ibrun python3 your_script.py

8. Job Logging & Diagnostics#

Each job produces a compact summary log named:

SLURM-job-summary.log

This file includes:

  • App metadata

  • Loaded modules

  • Installed pip packages

  • Launch mode (MPI vs serial)

  • Runtime durations

  • Error diagnostics (if the job fails)

This log is intended for human-readable debugging and complements SLURM output files.

9. Output & Archiving#

All files produced during execution remain inside the Input Directory and are archived to:

$WORK/tapis-jobs-archive/<date>/<jobname>-<jobuuid>/

Archived content includes:

  • Job summary log

  • Environment logs

  • Script outputs

  • Any files created by your Python workflow

10. Common Failure Modes#

Symptom

Likely Cause

ImportError: opensees

Incorrect import statement

MPI job hangs

UseMPI=True but script not MPI-safe

pip install failure

Incompatible package version

Job exits immediately

Script filename mismatch

Check SLURM-job-summary.log first.

11. Intended Scope#

This app is designed for:

  • OpenSeesPy-based research workflows

  • Education and training

  • Lightweight automation through the DesignSafe portal

It is not intended to replace:

  • Custom SLURM scripts

  • Large-scale production pipelines

  • Long-running, multi-stage workflows

For those use cases, consider developing a custom Tapis app or using OpenSeesMP-specific apps.

12. License & Reuse#

Developed by DesignSafe. This app may be reused, forked, and extended for broader OpenSeesPy workflows.

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