INSTALL 1.94 KB
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How to install ELPA:
----------------------

ELPA is shipped with a typical "configure" and "make" procedure. It is
recommended to use this way to install ELPA. If you do not want to install
ELPA as library, but to include it in your source code, you can find a 
"Makefile.example" in ./test, to see how this is done. Please distibute then 
all nfiles of ELPA with your code.


The configure installation is best done in four steps

1) run configure: 
   please point to your blacs/scalapack installation and the
   linkline with the variables "BLACS_LDFLAGS" and "BLACS_FCFLAGS". 
   You can either specify your own builds of lapack/blacs/scalapack
   or use specialized Vendor packages, e.g. if available you can use 
   Intel's MKL

   Please set the optimisation that you would like with the
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Andreas Marek committed
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   variable "OPT_FCFLAGS", e.g. OPT_FCFLAGS="-O3 -xAVX"
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   Check the available options with "configure --help". 
   If available you can e.g. choose especially optimized elpa kernels
   for your system.

   Set the "prefix" - flag, if you wish another installation location than
   the default "/usr/local/"


2) run "make"

3) run "make check"
   a simple test of ELPA is done. At the moment the usage of "mpiexec"
   is required. If this is not possible at your system, you can run the
   binaries "test_real", "test_real2", "test_complex", and "test_complex2"
   yourself. At the moment the tests check whether the residual and the
   orthogonality of the found eigenvectors are lower than a threshold of
   5e-12. If this test fails, or if you believe the threshold should be
   even lower, please talk to us.


4) run "make install"
   Note that a pckconfig file for ELPA is produced

How to use ELPA:
-----------------
Using ELPA should be quite simple. It is similiar to ScalaPack but the API
is different. See the examples in the directory "./test". There is shown how
to evoke ELPA from a Fortran code.

If you installed ELPA with the build procedure a pk-config file is produced.