This directory, mpiio, contains tests which exercise parallel
features of the ABINIT package including mpiio library (accesswff=1).

Copyright (C) 1998-2012 ABINIT group (XG,LSi)
This file is distributed under the terms of the
GNU General Public License, see ~abinit/COPYING
or http://www.gnu.org/copyleft/gpl.txt .
For the initials of contributors, see ~abinit/doc/developers/contributors.txt .

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To run these tests :

1. Submit the 'Run' script. See the header of the Run file, for a
   description of the procedure.
   The script 'Run' will create a subdirectory with the name_of_machine and the
   date, where all the results will be placed.
   Beware : only some machine names are allowed, since for each machine
   the procedure to launch parallel execution is different !!

2. In the directory so created, you will find for each test case that you have
   run, a log file (with the name of the test case), an output
   file, but also a 'diff.xxx' file, automatically created by making
   a 'diff' with respect to the "Refs" subdirectory output files.
   It contains output files from a recent version of the code.
   There may be large differences in timing but there should only
   be minor differences in the output of physical quantities.

3. There is also a global report file, generated by the use of the
   fldiff script. Its name is fldiff.report . See the install_notes
   in the Infos directory for information about the use of this file.

**********

Test cases :

set A :  Si in diamond structure; 60 special points in core; low ecut.
         (actually, only mpi is used in this test ...)

set P : Si, Bulk, 2 atoms , paral_kgb.
        Test of ground state with different occs(7 and 0),
        and also ionmov 3. Only with 0 and 4 procs.

set Q : Si, Bulk, 2 atoms , parallelism -DMPI_IO .Test of ground state  
        Only with 4 procs, no sequential version (tests accesswf 1)
        Must be launched with sh ../../tests/Scripts/drive-parallel-tests.sh machname Q	

set R : C-diamond, Bulk, 2 atoms, paral_kgb, with PAW.
        Test of ground state with different occs(7 and 0),
        and also ionmov 3. Only with 0 and 4 procs.

set T : He FCC solid in conventional cell (4 atoms).
        Test the recursion algorithm (for high-temperature calculations).
        Only with 0 and 4 procs.

set X : C-diamond, Bulk, 2 atoms, paral_kgb, with PAW.
        Test the triple parallelisation.
        We cannot check the distribution npband*npfft*npkpt=2*2*2=8 processors,
        this number being not allowed in the test procedure.
        Here, we only test the parallelisation over FFT and kpoints:
        npband*npfft*npkpt=1*2*2=4 processors.
        In test tY.in we check other distributions for guarantee.

set Y : C-diamond, Bulk, 2 atoms, paral_kgb, with PAW.
        Test the triple parallelisation.
        We cannot check the distribution npband*npfft*npkpt=2*2*2=8 processors,
        this number being not allowed in the test procedure.
        Here, we only test the parallelisation over bands and spins:
        npband*npfft*npkpt=2*1*2=4 processors.
        In addition, we also test here various features of bandfft-kpt parallelisation
        In particular, the bandpp, istwfk=2 and wfoptalg=14 variables.

set AG   Test paral_kgb parallelization for non-selfconsistent DFT+DMFT calculations.
         NiO npkpt=2,npband=2.

set AI : GaAs linear response with NC. Test the parallelisation on perturbations
