Provide relative workdir

[shuds13]

Re: #1671

Replaces %LIBENSEMBLE_SIM_DIR% with relative simulation dir in run line.

Adds environment variable LIBENSEMBLE_SIM_DIR set to this relative dir.

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 78.31%. Comparing base (4294a4d) to head (1de8c05).
⚠️ Report is 3 commits behind head on develop.

Additional details and impacted files

@@             Coverage Diff             @@
##           develop    #1672      +/-   ##
===========================================
+ Coverage    78.30%   78.31%   +0.01%     
===========================================
  Files           76       76              
  Lines         7582     7591       +9     
  Branches      1120     1120              
===========================================
+ Hits          5937     5945       +8     
  Misses        1460     1460              
- Partials       185      186       +1     

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[ax3l]

Thank you, @shuds13 ! I am trying it now 🚀 ✨

Will report back in a bit!

[ax3l]

@shuds13 just checking: is LIBENSEMBLE_SIM_DIR suffixed with a / or plain last dir name? (does not matter a lot, just to know for maximum cleanliness)

[shuds13]

@shuds13 just checking: is LIBENSEMBLE_SIM_DIR suffixed with a / or plain last dir name? (does not matter a lot, just to know for maximum cleanliness)

Just plain last dir name.

[ax3l]

Awesome, thanks!

[ax3l]

I am not sure if it is applied to late or early or not at all, but my test using commit 140baf4 with

ev_main = TemplateEvaluator(
    sim_template="templates/warpx_input_script",
    analysis_func=analysis_func_main,
    executable="/templates/warpx",
    precedent="podman-hpc exec --workdir /data/%LIBENSEMBLE_SIM_DIR% warpx /opt/entrypoint.sh",
    n_gpus=1,  # GPUs per individual evaluation
    env_mpi="srun",
)

fails to replace it for the run line:

$ pip install -U \
  git+https://github.com/ax3l/optimas.git@fix-app-check-container-bp-0.8.1  \
  git+https://github.com/Libensemble/libensemble.git@140baf438ed55714fffa9660b1a391e935014966

  Running command git clone --filter=blob:none --quiet https://github.com/ax3l/optimas.git /tmp/pip-req-build-idhfo1de
  Running command git checkout -b fix-app-check-container-bp-0.8.1 --track origin/fix-app-check-container-bp-0.8.1
  Switched to a new branch 'fix-app-check-container-bp-0.8.1'
  branch 'fix-app-check-container-bp-0.8.1' set up to track 'origin/fix-app-check-container-bp-0.8.1'.
  Running command git clone --filter=blob:none --quiet https://github.com/Libensemble/libensemble.git /tmp/pip-req-build-cdcrxjz4
  Running command git rev-parse -q --verify 'sha^140baf438ed55714fffa9660b1a391e935014966'
  Running command git fetch -q https://github.com/Libensemble/libensemble.git 140baf438ed55714fffa9660b1a391e935014966
  Running command git checkout -q 140baf438ed55714fffa9660b1a391e935014966

[0]  2026-02-06 16:22:33,455 libensemble.libE (INFO): Logger initializing: [workerID] precedes each line. [0] = Manager
[0]  2026-02-06 16:22:33,456 libensemble.libE (INFO): libE version v1.5.0+dev
[0]  2026-02-06 16:22:33,460 libensemble.manager (INFO): Manager exit_criteria: {'sim_max': 1}
[1]  2026-02-06 16:22:40,313 libensemble.executors.mpi_executor (INFO): Launching task libe_task_sim_0_worker1_0: srun -w nid001508 --ntasks 1 --nodes 1 --ntasks-per-node 1 --exact podman-hpc exec --workdir /data/%LIBENSEMBLE_SIM_DIR%/ warpx /opt/entrypoint.sh prepare_simulation.py
...

->

Error: crun: chdir to `/data/%LIBENSEMBLE_SIM_DIR%/`: No such file or directory: OCI runtime attempted to invoke a command that was not found

[shuds13]

I will need to look more next week, maybe wrong place. But in the submit function, I can do this (just adding a precendent) in Optimas test_template_evaluator.py.

        print(f'runline 1: {runline}')
        runline = self._set_sim_dir_env(task, runline)
        task.runline = " ".join(runline)

        print(f'runline 2: {runline}')

Output:

runline 1: ['mpirun', '-hosts', 'shuds', '-np', '1', '--ppn', '1', 'podman-hpc', 'exec', '--workdir', '/data/%LIBENSEMBLE_SIM_DIR%', 'warpx', '/opt/entrypoint.sh', 'template_simulation_script.py']
runline 2: ['mpirun', '-hosts', 'shuds', '-np', '1', '--ppn', '1', 'podman-hpc', 'exec', '--workdir', '/data/tests_output/test_template_evaluator/evaluations/sim0005', 'warpx', '/opt/entrypoint.sh', 'template_simulation_script.py']

[shuds13]

Now we have pulled in both branches, can you try with latest develop branch for libE

[ax3l]

Yes, I tried with commit 140baf4 on Friday.