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View Code? Open in Web Editor NEWA personal fork of aiida phonopy plugin
Home Page: https://github.com/abelcarreras/aiida-phonopy
License: MIT License
A personal fork of aiida phonopy plugin
Home Page: https://github.com/abelcarreras/aiida-phonopy
License: MIT License
from aiida.work.workfunction import workfunction
didn't work any more, instead we use
from aiida.work.workfunctions import workfunction
try:
# match the versions of aiida_core older than v.0.12.X
from aiida.work.workchain import _If, While
except ImportError:
from aiida.work.workchain import if as If
from aiida.work.workchain import while as _While
It's not a bug of aiida-phonopy. The error I will talk comes from the compatibility of latest version of h5py (v2.7.1) for the latest version of phono3py(v12.9). Even you are using these two versions, it doesn't mean you have this problem. I installed two computers with these two versions, one works well, the other one doesn't work.
In the computer in which phono3py couldn't create hdf5 file , running
phono3py' 'phonopy.conf' '--thm' '--br'
in a job.pbs (workload system, sge) crashed with errors:
File "h5py/h5f.pyx", line 98, in h5py.h5f.create
OSError: Unable to create file (unable to lock file, errno = 37, error message = 'No locks available')
Note that, if we run the command in the terminal, this error doesn't appear. It's very weird, but difficult to figure it out.
The workaround is roll h5py to its previous stable version. In my case, I removed v2.7.1 of h5py, and installed v2.6.0 using
conda install -c anaconda h5py=2.6.0
print(h5py.version.info)
h5py 2.6.0
HDF5 1.8.16
Python 2.7.12 (default, Nov 19 2016, 06:48:10)
[GCC 5.4.0 20160609]
sys.platform linux2
sys.maxsize 9223372036854775807
numpy 1.11.0
Since
eval "$(verdi completioncommand)"
doesn't exist for the new versions of aiida_core, I hence create this issue in case others also encounter the completion problem.
As stated by sphuber (see aiidateam/aiida-core#1810), the new command is
eval "$(_VERDI_COMPLETE=source verdi)"
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