netcdf error One or more variable sizes violate format constraints

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abderrezak
Posts: 1
Joined: Mon Dec 09, 2019 3:56 pm

netcdf error One or more variable sizes violate format constraints

Post by abderrezak » Mon Dec 09, 2019 4:14 pm

Dear users,

I am having this error with the last version of abinit (8.10.3):

-- !ERROR
src_file: m_nctk.F90
src_line: 1086
mpi_rank: 0
message: |
No msg from caller - NetCDF library returned: NetCDF: One or more variable sizes violate format constraints
...

I am trying to calculate the diecletric function for monolayer MoS2 with a dense k sampling (33x33x1). The netcdf documentation says that there is indeed a limitation of the netcdf variables (about 4GB) to be written into the file. As far as I understood, this limitation is lifted if netcdf is compiled with hdf5 support. I compiled abinit with external netcdf file with hdf5 support but still getting this error.

Is there a way to go around this error and calculate the dielectric function for dense Brillouin zone sampling ?
The problem of the binary format is that I do not know how to read it other wise i would prefer to use it rather than the netcdf format. Is there any post processing tool that enable us to get the inverse dielectric file from the binary SCR file ?

Thanks in advance.

Abderrezak Torche.
Post-doc, hamburg university.

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