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Optional disable file saving when run_pyscf #56

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we-taper opened this issue Aug 19, 2020 · 1 comment
Open

Optional disable file saving when run_pyscf #56

we-taper opened this issue Aug 19, 2020 · 1 comment

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@we-taper
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we-taper commented Aug 19, 2020

Can we add an option to not save data in run_pyscf?

Saving data is prohibited in my cluster (error message attached) and is not necessary I guess?

  File "/usr/local/lib/python3.6/dist-packages/openfermionpyscf/_run_pyscf.py", line 206, in run_pyscf
    pyscf_molecular_data.save()
  File "/usr/local/lib/python3.6/dist-packages/openfermion/hamiltonians/_molecular_data.py", line 642, in save
    "{}.hdf5".format(self.filename))
OSError: [Errno 18] Invalid cross-device link: 'f73a457b-1fec-42ee-a484-ed2325f89cf0.hdf5' -> '/usr/local/lib/python3.6/dist-packages/openfermion/data/H2_sto-3g_singlet.hdf5'

Related code: save run_pyscf

@we-taper
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we-taper commented Oct 9, 2020

Any update for this?

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