[Wannier] Issues with Reading Fortran Files in WannierBerri
Stephen Zhang
lolzen at berkeley.edu
Sat Feb 6 09:46:43 CET 2021
Hi everyone,
I'm currently struggling to fix the issue with reading .chk files from
wannier90 in WannierBerri. The error the python outputs is given below.
Traceback (most recent call last):
File "job.py", line 8, in <module>
system=wberri.System_w90('TaNiSe',berry=True)
File
"/global/home/users/lolzen/.local/lib/python3.7/site-packages/wannierberri/__system_w90.py",
line 63, in __init__
chk=CheckPoint(self.seedname)
File
"/global/home/users/lolzen/.local/lib/python3.7/site-packages/wannierberri/__w90_files.py",
line 74, in __init__
m_matrix=readcomplex().reshape(
(self.num_kpts,self.nntot,self.num_wann,self.num_wann) )
File
"/global/home/users/lolzen/.local/lib/python3.7/site-packages/wannierberri/__w90_files.py",
line 40, in readcomplex
a=readfloat()
File
"/global/home/users/lolzen/.local/lib/python3.7/site-packages/wannierberri/__w90_files.py",
line 38, in <lambda>
readfloat = lambda : FIN.read_record('f8')
File
"/global/home/users/lolzen/.local/lib/python3.7/site-packages/scipy/io/_fortran.py",
line 260, in read_record
'dtypes given ({1}).'.format(first_size, block_size))
ValueError: Size obtained (2147483657) is not a multiple of the dtypes
given (8).
I've tried messing around with different datatypes in readfloat and nothing
has really worked. Does anyone else have any advice for addressing this
issue?
Thanks,
Stephen
--
*University of California, Berkeley*
*Department of Letter and Sciences*
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