Installing and using netcdf files for AbiPy

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Installing and using netcdf files for AbiPy

Postby ngrd2019 » Fri Jun 21, 2019 6:33 am

I’m relatively new to ABINIT and I have been learning through the tutorials. However for parts of the tutorial that use netcdf (ie. Base1 Tutorial last part, Base3 Tutorial band width graphs, etc.) I cant seem to access them. Especially when using cut3d, option 15 is supposed to generate a netcdf file of my data, but it always gives me an error saying “bad file descriptor.” What are the steps to installing netcdf programs or configuring my abinit to use/create netcdf files? Also, are netcdf files the same as those ending in “.nc”? Thanks!
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Re: Installing and using netcdf files for AbiPy

Postby gmatteo » Wed Jul 10, 2019 1:11 am

What are the steps to installing netcdf programs or configuring my abinit to use/create netcdf files?


Use:

Code: Select all
./configure --with-trio-flavor="netcdf"  OTHER_OPTIONS


to activate the internal netcdf library.

At the end of the configuration, you should see that the internal netcdf fallback has been activated.

Code: Select all
==============================================================================
 === Final remarks                                                          ===
 ==============================================================================

Summary of important options:

  * C compiler      : gnu version 8.2
  * Fortran compiler: gnu version 8.2
 
  * TRIO   flavor = netcdf-fallback


Compile the code with `make -jNUM_CPUS` as usual

Since netcdf support is activated, Abinit will produce automatically netcdf files that can be used for post-processing with AbiPy (e.g. the GSR.nc file).

For further info about the installation process see: https://docs.abinit.org/installation/
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