- 24 Feb, 2016 1 commit
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Andreas Marek authored
The configure flag "--enable-shared-memory-only" 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
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- 18 Feb, 2016 2 commits
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Andreas Marek authored
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Andreas Marek authored
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- 17 Feb, 2016 1 commit
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Andreas Marek authored
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- 03 Feb, 2016 2 commits
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Andreas Marek authored
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Andreas Marek authored
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- 02 Feb, 2016 15 commits
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
This commit is performance critical and has to be timed carefully. Thus one can switch back to the old implementation. The new one, however is more safe and better to debug
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Andreas Marek authored
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Andreas Marek authored
This commit might be performance critical, it has to be timed carefully. Thus one can switch back to the old implementation. The new one, however, is more safe and better to debug
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
This change might be performance critical and has to be timed carefully. Thus it is possible to switch back to the old implementation. The new one, however, can actually be debbuged
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
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Andreas Marek authored
The generic real kernel is now contained in a module, this allows strict interface checking! It also does not use assumed size arrays anymore. Both points increase the possibility to debug and find errors. However, this might be performance critical! It is possible to switch back to the old implementation if that turns out to be beneficial w.r.t. performance. Timings with gfortran 4.9 on Intel Haswell showed that the new implementation is about 30 percent faster then the previous one
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- 19 Jan, 2016 2 commits
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Andreas Marek authored
Now all functions, which were "contained" in anoter one are moved to seperate modules. This allows for strict interface checking and debugging
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Andreas Marek authored
This routine has been contained in a subroutine. It has been moved to a module and and renamed to "single_hh_trafo_real" to make it's intention more clear
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- 13 Jan, 2016 1 commit
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Andreas Marek authored
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- 11 Jan, 2016 1 commit
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Andreas Marek authored
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- 05 Jan, 2016 1 commit
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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
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- 04 Jan, 2016 2 commits
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Andreas Marek authored
In some C test programs the function declaration header files have been missing
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Andreas Marek authored
The Fortran variable declerations "variable type*[4,8,16]" is non Fortran standard. It might cause problem in the future. Furthermore, the usage of Fortran and C togehther is more clean if variables are defined according to C variable types. This is done, now for all the test programs
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- 17 Dec, 2015 1 commit
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Andreas Marek authored
fdep per subtree, fixed wrong argument order See merge request !1
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- 16 Dec, 2015 5 commits
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Lorenz Huedepohl authored
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Lorenz Huedepohl authored
git-subtree-dir: fdep git-subtree-mainline: 38fe3a85 git-subtree-split: f81bd5c8
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Lorenz Huedepohl authored
Previously, the list of modules used or defined by a source file was assumed to be the same regardless for which target the file was used (except for library/non-library compilation). Now, every target has its own list of defined and required modules per source file
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Lorenz Huedepohl authored
Will be added in the subsequent commit as a 'subtree' from upstream
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Andreas Marek authored
This commit does not change the interfaces defined in ELPA_2015.11.001 ! All functionality is available via the interface names and definitions as in ELPA_2015.11.001 But some new interfaces have been added, in order to unfiy the references from C and Fortran codes: - The procedures to create the ELPA (row/column) communicators are now available from C _and_ Fortran with the name "get_elpa_communicators". The old Fortran name "get_elpa_row_col_comms" and the old C name "elpa_get_communicators" are from now on deprecated but still available - The 1-stage solver routines are available from C _and_ Fortran via the names "solve_evp_real_1stage" and "solve_evp_complex_1stage". The old Fortran names "solve_evp_real" and "solve_evp_complex" are from now on deprecated but still functional. All documentation (man pages, doxygen, and example test programs) have been changed accordingly. This commit implies a change in the API versioning number, but no changes to codes calling ELPA (if they have been already updated to the API of ELPA_2015.11.001)
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- 15 Dec, 2015 1 commit
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Andreas Marek authored
For the library functions which are accessible by the user man pages decribing the Fortran and C interface exist: -get_elpa_row_comms -solve_evp_real , solve_evp_complex -solve_evp_real_2stage, solve_evp_complex_2stage For the "service binary" print_available_elpa2_kernels, also a man page exists. TODO: extend man pages to test-binaries, or do not install test-binaries
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- 11 Dec, 2015 3 commits
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Andreas Marek authored
- the contact email is now: elpa-library@mpcdf.mpg.de - the official website is now hosted at http://elpa.mpcdf.mpg.de
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Andreas Marek authored
I forgot to update this file in time
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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.
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- 10 Dec, 2015 2 commits
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Andreas Marek authored
The user functions of ELPA are now documented with doxygen tags. At the moment the interface of ELPA 2015.11.001 is decribed. The documentation has step by step to be implemented for all functions and test programms.
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Andreas Marek authored
As in a previous commit for elpa1.F90, for automatic generation of documentation elpa2.F90 has been splitted in two files, in order to have a lean, easy-to-understand user interface: elpa2.F90 the visible user functions, which provide the library calls. The usage is the same as before elpa2_compute.F90 all internal routines, which are used by ELPA2, but which are never called external of the library by a user. These functions are now "hidden" in the module elpa2_compute, which is used by ELPA2. The procedures in elpa2_compute.F90 are identical to the ones in elpa2.F90 before this split commit. The only -- but quite a lot of them -- changes are intendation changes.
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