I presume this might be related to errors with the recent cluster update. But I start to see the following error message:
2024-04-06 12:50:59,746 - pyiron_log - INFO - run job: job_el_341_8 id: None, status: initialized
Traceback (most recent call last):
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/generic.py", line 763, in run
self._run_if_new(debug=debug)
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_atomistics/vasp/interactive.py", line 299, in _run_if_new
super(VaspInteractive, self)._run_if_new(debug=debug)
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/generic.py", line 1281, in _run_if_new
run_job_with_status_initialized(job=self, debug=debug)
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/runfunction.py", line 91, in run_job_with_status_initialized
job.save()
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_atomistics/dft/job/generic.py", line 460, in save
super(GenericDFTJob, self).save()
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/generic.py", line 1138, in save
self.to_hdf()
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_atomistics/vasp/base.py", line 780, in to_hdf_hdf5/combo529a40377697
super(VaspBase, self).to_hdf(hdf=hdf, group_name=group_name)
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/interactive.py", line 343, in to_hdf
super(InteractiveBase, self).to_hdf(hdf=hdf, group_name=group_name)
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/generic.py", line 1094, in to_hdf
self._hdf5.write_dict(data_dict=self.to_dict())
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5io_browser/pointer.py", line 349, in write_dict
write_dict_to_hdf(
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5io_browser/base.py", line 103, in write_dict_to_hdf
with _open_hdf(file_name, mode="a") as store:
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5io_browser/base.py", line 158, in _open_hdf
return h5py.File(name=filename, mode=mode, libver="latest", swmr=swmr)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5py/_hl/files.py", line 562, in __init__
fid = make_fid(name, mode, userblock_size, fapl, fcpl, swmr=swmr)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5py/_hl/files.py", line 247, in make_fid
fid = h5f.open(name, h5f.ACC_RDWR, fapl=fapl)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "h5py/_objects.pyx", line 54, in h5py._objects.with_phil.wrapper
File "h5py/_objects.pyx", line 55, in h5py._objects.with_phil.wrapper
File "h5py/h5f.pyx", line 102, in h5py.h5f.open
OSError: Unable to synchronously open file (truncated file: eof = 48, sblock->base_addr = 0, stored_eof = 2048)
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/cli/__main__.py", line 3, in <module>
main()
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/cli/control.py", line 59, in main
args.cli(args)
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/cli/wrapper.py", line 37, in main
job_wrapper_function(
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/wrapper.py", line 186, in job_wrapper_function
job.run()
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/wrapper.py", line 131, in run
self.job.run_static()
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/flex/pythonfunctioncontainer.py", line 96, in run_static
output = self._function(**self.input.to_builtin())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/tmp/ipykernel_14547/1723737464.py", line 11, in combo
File "/tmp/ipykernel_14547/2935058593.py", line 15, in run_scf
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/utils/deprecate.py", line 171, in decorated
return function(*args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/generic.py", line 785, in run
self.drop_status_to_aborted()
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/jobs/job/generic.py", line 1271, in drop_status_to_aborted
self.project_hdf5["status"] = self.status.string
~~~~~~~~~~~~~~~~~^^^^^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/pyiron_base/storage/hdfio.py", line 309, in __setitem__
_write_hdf5_with_json_support(
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5io_browser/base.py", line 257, in _write_hdf5_with_json_support
_write_hdf(
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5io_browser/base.py", line 220, in _write_hdf
_retry(
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5io_browser/base.py", line 438, in _retry
return func()
^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5io_browser/base.py", line 221, in <lambda>
lambda: h5io.write_hdf5(
^^^^^^^^^^^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5io/_h5io.py", line 172, in write_hdf5
with h5py.File(fname, mode=mode) as fid:
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5py/_hl/files.py", line 562, in __init__
fid = make_fid(name, mode, userblock_size, fapl, fcpl, swmr=swmr)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/cmmc/ptmp/janj/mambaforge/lib/python3.11/site-packages/h5py/_hl/files.py", line 247, in make_fid
fid = h5f.open(name, h5f.ACC_RDWR, fapl=fapl)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "h5py/_objects.pyx", line 54, in h5py._objects.with_phil.wrapper
File "h5py/_objects.pyx", line 55, in h5py._objects.with_phil.wrapper
File "h5py/h5f.pyx", line 102, in h5py.h5f.open
OSError: Unable to synchronously open file (truncated file: eof = 48, sblock->base_addr = 0, stored_eof = 2048)
I presume this might be related to errors with the recent cluster update. But I start to see the following error message:
Based on https://github.com/h5py/h5py/issues/1101 I tried adding
export HDF5_USE_FILE_LOCKING=FALSE
to my~/.bashrc
, let's if it helps.