Write a single WFK.nc file

temok · Post by **temok** » Fri Jan 20, 2017 10:24 pm

Dear All,

I am running Abinit 7.10.5 with 'accesswf = 3' (ETSF NETCDF output)
http://www.abinit.org/doc/helpfiles/for-v7.10/input_variables/vardev.html#accesswff

If I do the run in parallel, then ABINIT writes one WFK.nc file for each processor, like
_DS2_WFK_0-etsf.nc
_DS2_WFK_1-etsf.nc
_DS2_WFK_2-etsf.nc
_DS2_WFK_3-etsf.nc
_DS2_WFK_4-etsf.nc, etcetera. The run finishes fine.

Is it possible to tell ABINIT to write a SINGLE WFK file at the end of the calculation ?
(the normal behaviour when you run in parallel using the raw binary WFK).

Thanks,
Temok