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A personal fork of aiida phonopy plugin

Home Page: https://github.com/abelcarreras/aiida-phonopy

License: MIT License

Python 100.00%

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aiida-phonopy-fyw's Issues

[Reminder] to myself about creating file errors of h5py

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

get rid of the import errors owning to the upgrade of aiida_core

(1)

from aiida.work.workfunction import workfunction

didn't work any more, instead we use

from aiida.work.workfunctions import workfunction

(2)

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

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