"#!/usr/bin/python3" only works if python3 is found in "/usr/bin".

Only minimal changes done so far (mostly print() stuff)

ELPA can now be linked against a 64bit integer version of MPI and
ScalaPack. This is an experimental feature

The following points are still to be done
- does not work with real QR-decomposition
- generalized routines return wrong results
- the C tests and the C Cannon algorithm implementation do not
  work (no 64bit header files for MPI *at least* with Intel MPI)

Obviously, recent versions of automake decided to filter out
an "test_" string which led to some surprises

and runs several elpas (still mpi-based) in parallel. Each elpa
"instance" then splits its communicator to row and column communicator,
as it is always done. This is actually often done in FHI-aims and was
previously leading to issues when using OmniPath. Hopefully was solved
by Intel MPI 2019.3. Keeping the test for future reference.

mpi_comm_parent is allways requred (it was not required before, but
actually the code internals expected it to be supplied, at least for
ELPA 2 calculation OR whenever GPU was used)

Pavel Kus authored 6 years ago and Pavel Kus committed 6 years ago

and supplied to the elpa object by set methods

because otherwise the cannons algorithm is not usually tested

added possibility to re-use the already decomposed matrix B in the
generalized problem
Added respective test

* tested with elpa1 only (should be sufficient)
* not using Hermitian multiply at the moment
* requires scalapack

executables were generated event though the functionality is not present
in test.c

test.c currently does not support all the flags test.F90 does, so there
were a lot of useless test cases generated.

- per default only some tests are run
- by setting CHECK_LEVEL=extended all test jobs are run

To be used like this

   class(elpa_t), pointer      :: e
   class(elpa_autotune_t), pointer :: tune_state

   e => elpa_allocate()
   call e%set(...)
   [...]
   assert_elpa_ok(e%setup())

   tune_state => e%autotune_setup(ELPA_AUTOTUNE_FAST, ELPA_AUTOTUNE_DOMAIN_REAL)

   ! Autotuning loop, continues until all combinations have been tried
   do while (e%autotune_step(tune_state))
     ! Do the steps that are representative of your calculation
     call e%eigenvectors(a, ev, z, error)
   end do

   ! Fix best parameters, and de-allocate the autotune object
   call e%autotune_set_best(tune_state)
   call elpa_autotune_deallocate(tune_state)

both fortran and C tests generated in generate_automake_test_programs.py
linker flags added by hand -- FIX this