 06 Apr, 2017 1 commit


Andreas Marek authored

 23 Mar, 2017 1 commit


Andreas Marek authored

 13 Feb, 2017 1 commit


Andreas Marek authored
It could happen that ELPA stopped with an error but an exit code "0" was given, i.e. one could assume everything was fine when it was not! Now each Fortran "stop" was replaced with "stop 1" to prevent this

 10 Feb, 2017 1 commit


Andreas Marek authored
This closes issues #48

 09 Feb, 2017 1 commit


Andreas Marek authored

 07 Feb, 2017 3 commits


Andreas Marek authored

Andreas Marek authored

Andreas Marek authored

 06 Feb, 2017 3 commits


Andreas Marek authored

Andreas Marek authored

Andreas Marek authored

 28 Jan, 2017 1 commit


Andreas Marek authored

 29 Nov, 2016 1 commit


Andreas Marek authored

 21 Oct, 2016 1 commit


Andreas Marek authored

 05 Aug, 2016 1 commit


Andreas Marek authored

 04 Aug, 2016 1 commit


Andreas Marek authored

 02 May, 2016 1 commit


Andreas Marek authored

 18 Mar, 2016 1 commit


Andreas Marek authored
library It the configure option "enablesingleprecision" is specified, ELPA will also be build for single precision usage. The double precision and single precision will be available at the same time with names "solve_evp_real_1stage_double" or "solve_evp_real_1stage_single" and so on... This change immplied some major refactoring of the ELPA code: 1.) functions/procedures had to be renamed with suffix "_double" 2.) If necessary the same functions have to be available with suffix "_single" 3.) Variable kind definitions have to be consistent with the intented use To avoid uneccessary code duplication this is done (most of the time) with preprocessor string substitution. The documentation has been updated. NOT SUPPORTED are at the moment:  single precision usage of ELPA2 with kernels, others than "generic" and "generic_simple"  single precision usage of GPU

 24 Feb, 2016 2 commits


Andreas Marek authored

Andreas Marek authored
The configure flag "enablesharedmemoryonly" triggers a build of ELPA without MPI support:  all MPI calls are skipped (or overloaded)  all calls to scalapack functions are replaced by the corresponding lapack calls  all calls to blacs are skipped Using ELPA without MPI gives the same results as using ELPA with 1 MPI task! This version is not yet optimized for performance, here and there some unecessary copies are done. Ths version is intended for users, who do not have MPI in their application but still would like to use ELPA on one compute node

 11 Feb, 2016 1 commit


Andreas Marek authored
With the configure option "enablesingleprecision" ELPA1 is build with singleprecision (halfwords) only. The best precision in singleprecision (float or complex) is 2^23 ~ 1.2e7. The accuracy of the error residual of ELPA1 in singleprecision mode is of the order 1e4 to 1e5. The orthogonality of the EV's is fullfilled up to about ~1e6. Thus the precision of ELPA1 in singleprecision mode is roughly 100  1000 times less than the best achievable precison. This is consistent with the doubleprecision mode, where also a factor of 100  1000 less precision than the theoretical best one is found. The float EVs are identical to the double EVs to at least 1e2, the precision of the EVs is thus about 1e7/1e2 = 1e5 times lower than the best theoretical precision. If the same holds for the double precision calculations, this implies that the double precision results can also be only trusted on the level 1e11 (5 orders of magnitude larger than the best theoretical precision) The best speedup compared to the double precision calculation is a factor of two. This is by far not achieved yet, since the singl precision version is not at all optimized at the moment

 05 Jan, 2016 1 commit


Andreas Marek authored
All variables (real, integer, complex) are now declecared with the appropiate kind statement. The definition of the kind types is done in src/mod_precision.f90 To ensure interoperability with C, the kind types are decleared via iso_c_binding to C variables

 11 Dec, 2015 2 commits


Andreas Marek authored
 the contact email is now: elpalibrary@mpcdf.mpg.de  the official website is now hosted at http://elpa.mpcdf.mpg.de

Andreas Marek authored
The Rechenzentrum Garching (RZG) has been renamed into the Max Planck Computing and Data Facility (MPCDF). This is reflected now in the adapted headers. In the near future, all references to the ELPA webside and the ELPA email will also be adapted.

 16 Jun, 2015 1 commit


Andreas Marek authored
complex cases Create automatically two independent routines for real and complex valued matrices
