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ABINITv5.3.5


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  • From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
  • To: Forum abinit <forum@abinit.org>
  • Subject: ABINITv5.3.5
  • Date: Thu, 23 Aug 2007 10:09:08 +0200

Dear ABINIT users,

ABINIT version 5.3.5 is available ...
You will find it on the Web site, as usual,
http://www.abinit.org/package/?text=5_3_5 .

*** This release of ABINIT can be used in production ***

Please, read the installation notes at
http://www.abinit.org/Infos_v5.3/install_notes/install.html
Numerical results have been checked, and the remaining problems are described
in the file KNOWN_PROBLEMS at the top of the package.
Compared to the v5.3.4 , there has been many small bug fixes.
Building additional libraries (NetCDF, Nanoquanta/ETSF IO, Nanoquanta/ ETSF XC, XML F90),
is still to be done by experts only.
Please, see the release notes, at
http://www.abinit.org/Infos_v5.3/release_notes/release_notes.html

The complete sources and tests are available on the Web site,
as well as the sequential
and parallel executable versions for
PC Linux Ifort, Sun Opteron V40 Ifort,
IBM with Power 5 processors,
Compaq-alpha EV56 Linux, and
the sequential version for PC Linux PGI, PC Linux Pathscale, and
PC Linux Gfortran.

The latter is provided for the first time,
though the Gfortran compiler has been used to compile ABINIT
for more than one year already by some.
All automatic tests are fine, except 2 tests for which departure from results
obtained on other platforms is somehow beyond what is usually tolerated :
- tests_v4 #08, for a GGA-Spin Polarized-PAW calculation, and
- tests_v4 #88, for self-consistent GW computation

For the list of contributors, see the above-mentioned release notes.
Many thanks also to Jean-Michel Beuken, the Webmaster ...

Version 5.4.3 will be available soon ...

Have fun !
Xavier




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