ABINIT Discussion Forums

Hello,

As I understand it, ABINIT comes with its own internal LAPACK and BLAS libraries. Recently I have learned about parallel versions of LAPACK (ScaLAPACK), BLAS (PBLAS) and parallel-netcdf. My question is: does ABINIT have any support for these, and if yes, how should I connect them? Also, would this type of parallelism have any benefits beyond k-point/band parallelism?

Thanks
-Mamikon

All related options can be found in the output of "./configure --help". You might want to look in particular at --with-linalg-* and --with-scalapack-* options. More details can also be found in ~abinit/doc/config/build-config.ac.

Abinit does not support NetCDF 4 yet, but this is planned for next year.

The benefits you may get from these libraries will not be systematic. They will depend on your systems and the kind of calculations you want to perform.