ABINIT 7.4.2


Directory list:

VersionDescription
build02 7.4.2 compiled with gfortran+mkl+impi (No OpenMP)
build03 7.4.2 compiled with gfortran+mkl+impi (OpenMP)

Level of support

Tier 2 NSC has only limited experience with this software, but we will try to help as much as possible. We have ran some tests, for example, if the program comes with a test suite, but they may be far from exhaustive. We will try to install and test new versions, as soon as we can.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

Version 7.4.2 is an new production level release. The source code for version was downloaded from ABINIT home page on 2013–09–17.

These are the full release notes.

Some of the news in 7.4.2:

  • Bug fixes in optics calculations.
  • Better tests (I have attached the outputs from the new test suite in the README.NSC files for each build).
  • Improved post-processing of molecular dynamics output (“APPA”)
  • Orbital magnetism with PAW implemented
  • LibXC 2.0.2
  • Preliminary support for vdW-DF1 and -DF2.
  • Enhancements to BSE parallel scaling.

I have built two versions, with and without OpenMP support. OpenMP is not fully implemented in Abinit so it is better to run with regular MPI. Some calculations, such as GW, might benefit from hybrid OpenMP/MPI, though. Please report back to NSC if you have success with OpenMP+MPI.