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ABINIT 5.6.5

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Production version [see the accompanying letter]

For additional information about this project, please visit the project page.

Available downloads

Product Package

For All platforms (30MB)

Release Notes

Tested with ABINIT 5.6.5
State Final release
License GPL
Released 2009/02/15
*** This release of ABINIT can be used in production. ***

It has been extensively tested on a Opteron-based architecture, with 9 different compilers.

For the new features, please, see release notes.

For installation, please, read the installation notes.

Numerical results have been checked, and the few remaining problems are described
in the file KNOWN_PROBLEMS at the top of the package.

The complete sources and tests are available on the Web site, as well as the sequential
and parallel executable versions for an opteron-based machine, for the pathscale, pgi7.2.3, open64,
g95 and SunStudio compilers.

IMPORTANT NOTICE FOR THE BUILD OF v5.6.5 :

Compared to the previous production version, v5.4.4, this new version makes available, by default,
many additional libraries (NetCDF, Nanoquanta/ETSF IO, BigDFT, Wannier90).
Note that, for ABINITv5.6.3 and 5.6.4, we suspect that they might cause some problem
in the build process (note however, that ALL the executables that are delivered on the ABINIT Web site
have these new capabilities) : your platform will likely differ from all the platforms
that have been used in our systematic tests, or by some developers.

In case you have problems, please consider disabling the build of all these new libraries :

configure --disable-netcdf --disable-etsf-io --disable-bigdft --disable-wannier90

Note that the parallel build is disabled by default.
You may activate it using the --enable-mpi="yes" option, provided that the PATH and LD_LIBRARY_PATH environment variables are properly set-up.
If this is not the case, the configure script will abort with the following error message :

configure: error: cannot run C compiled programs.

For the list of contributors, see the above-mentioned release notes.
Many thanks also to Jean-Michel Beuken, who installed many different compilers for the extensive
testing of the build system.


Have fun !

Xavier
 
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