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Several issues with unpacked projects #931

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ligerzero-ai opened this issue Dec 2, 2022 · 1 comment
Closed

Several issues with unpacked projects #931

ligerzero-ai opened this issue Dec 2, 2022 · 1 comment

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@ligerzero-ai
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ligerzero-ai commented Dec 2, 2022

Consider:

I have a compressed unconverged_tests.tar.gz file from another project:

pr = Project("test")
pr.unpack(origin_path="unconverged_tests")

Now I want to create a copy of a job using copy_to:

job = pr.load("P")
job.copy_to("P_experiment")

Note that this is a completely different project. So in fact, the behaviour in #830 is probably more general overall.
pr.job_table() yields:

  id status chemicalformula job subjob projectpath project timestart timestop totalcputime computer hamilton hamversion parentid masterid
18429415 aborted Ni107P P /P /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-11-30 23:57:14.265835 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18429416 aborted CrNi107 Cr /Cr /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-12-01 00:21:05.799453 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18429417 aborted Ni107Sr Sr /Sr /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-12-01 00:37:21.992183 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18429418 not_converged InNi107 In /In /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-12-01 00:49:52.897924 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18429419 aborted Ni107Te Te /Te /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-12-01 00:51:35.392024 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18429420 aborted Ni107Pt Pt /Pt /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-12-01 01:05:20.626637 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18429421 aborted Ni107Tl Tl /Tl /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-12-01 01:11:22.213982 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18429422 not_converged BiNi107 Bi /Bi /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-12-01 01:12:24.082848 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18429423 aborted Ni107Po Po /Po /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/unconverged_tests/ 2022-12-01 01:14:26.187415 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None
18442532 aborted Ni107P P /P_experiment /cmmc/u/ hmai/tests_for_dev_pyiron/test_pyiron_job_recovery/ 2022-11-30 23:57:14.265835 None None hmai@cmti001#120#cm Vasp 5.4.4_mpi_AutoReconverge None None

Now, let us attempt to load the newly created P_experiment job:
pr.load("P_experiment")
2022-12-02 13:36:38,969 - pyiron_log - WARNING - Job 'P_experiment' does not exist and cannot be loaded

So you cannot load a job that has been created with the job.copy_to() functionality! I am not sure if this has to do with the unconverged status of the job.

At this point the folder structure looks like this:

hmai@cmti001:~/tests_for_dev_pyiron/test> ls
Bi.h5  Bi_hdf5  Cr.h5  Cr_hdf5  In.h5  In_hdf5  P.h5  P_hdf5  Po.h5  Po_hdf5  Pt.h5  Pt_hdf5  Sr.h5  Sr_hdf5  Te.h5  Te_hdf5  Tl.h5  Tl_hdf5  unconverged_tests

Notice the unconverged_tests folder.

Now let us remove the project.
pr.remove(enable=True)
This appears to run fine, but it doesn't. Calling ls yields:

hmai@cmti001:/cmmc/u/hmai/tests_for_dev_pyiron/test> ls
Bi_hdf5  Cr_hdf5  In_hdf5  P_hdf5  Po_hdf5  Pt_hdf5  Sr_hdf5  Te_hdf5  Tl_hdf5

So, it removes the unconverged_tests sub dir but doesn't remove the parent folder, test.

This may have to do with #930.

@liamhuber
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Should be addressed over in #886

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