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Dear Authors,
I followed the instructions to run the diamond_nv_qe_hdf5 example. The first step to run QE to generate wavefunction seemed fine. However, when I run the second step (mpirun pyzfs --wfcfmt qeh5 > zfs.out), I met a bug:
Traceback (most recent call last):
File "/home/linzz/anaconda3/lib/python3.6/site-packages/h5py/_hl/files.py", line 121, 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 78, in h5py.h5f.open
OSError: Unable to open file (Unable to lock file, errno = 11, error message = 'resource temporarily unavailable')
Besides, I met some warnings simultaneously, which reads:
/home/linzz/anaconda3/lib/python3.6/site-packages/ase/utils/init.py:41: FutureWarning: Please use atoms.cell.reciprocal()
warnings.warn(warning)
Could you please give me any suggestions to solve these problems?
Thank you very much.
Yours sincerely
Zz Lin
The text was updated successfully, but these errors were encountered:
Dear Authors,
I followed the instructions to run the diamond_nv_qe_hdf5 example. The first step to run QE to generate wavefunction seemed fine. However, when I run the second step (mpirun pyzfs --wfcfmt qeh5 > zfs.out), I met a bug:
Traceback (most recent call last):
File "/home/linzz/anaconda3/lib/python3.6/site-packages/h5py/_hl/files.py", line 121, 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 78, in h5py.h5f.open
OSError: Unable to open file (Unable to lock file, errno = 11, error message = 'resource temporarily unavailable')
Besides, I met some warnings simultaneously, which reads:
/home/linzz/anaconda3/lib/python3.6/site-packages/ase/utils/init.py:41: FutureWarning: Please use atoms.cell.reciprocal()
warnings.warn(warning)
Could you please give me any suggestions to solve these problems?
Thank you very much.
Yours sincerely
Zz Lin
The text was updated successfully, but these errors were encountered: