File: gstart_comp_run.dox

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/*
  This file is part of MADNESS.

  Copyright (C) 2015 Stony Brook University

  This program is free software; you can redistribute it and/or modify
  it under the terms of the GNU General Public License as published by
  the Free Software Foundation; either version 2 of the License, or
  (at your option) any later version.

  This program is distributed in the hope that it will be useful,
  but WITHOUT ANY WARRANTY; without even the implied warranty of
  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
  GNU General Public License for more details.

  You should have received a copy of the GNU General Public License
  along with this program; if not, write to the Free Software
  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA

  For more information please contact:

  Robert J. Harrison
  Oak Ridge National Laboratory
  One Bethel Valley Road
  P.O. Box 2008, MS-6367

  email: harrisonrj@ornl.gov
  tel:   865-241-3937
  fax:   865-572-0680
*/

/**
  \file gstart_comp_run.dox
  \brief Documentation for compiling and running MADNESS programs.
  \addtogroup gstart_comp_run
  \todo Verify that the code snippets here aren't stale. They're imported from a 2010 document.

\par Compiling your program

Assuming your code is in saved in `fred.cc`, to make the program type
\code
make -f trunk/doc/devsamp/Makefile.sample fred
\endcode
The example makefile `Makefile.sample` must be copied and modified for projects with more than one source file (see the end of that file for an example).

\par Running your program

<em>On a single workstation or laptop</em>

Just type the name of the executable in the directory where the binary is located,
\code
./fred
\endcode

Hopefully it will print
\verbatim
The result is 1.839072e+00
\endverbatim

<em>You are already running in parallel.</em>

Behind the scenes, MADNESS inquired how many processors or cores were installed in your computer and launched that many threads to perform the work. If you wish to use fewer processors, set the environment variable `MAD_NUM_THREADS` to be the total number of processors or cores you wish to use (note that if using MPI, an additional server thread is also employed for massage passing). For example, to use just 3 processors, in
the bash shell type
\code
export MAD_NUM_THREADS=3
\endcode
and in the C shell type
\code
setenv MAD_NUM_THREADS 3
\endcode

\attention Using more threads than processors can result in catastrophic slowdown since MADNESS uses spinlocks. If you need to oversubscribe the physical processors (or run inside a virtual machine), configure with the option `--enable-never-spin`.

<em> On a parallel computer using MPI (distributed or shared memory)</em>

This is going to vary from system to system. Generically, to run on `N` nodes with `T` applications threads per node (an extra server thread for message passing is also created if `N`\f$>1\f$), you will type (in the bash shell) something like
\code
MAD_NUM_THREADS=T mpirun -np N ./fred
\endcode

We want `mpirun` to start one process per node, and MADNESS will look after starting one thread per processor/core. But this is easier said than done and sadly changes with each revision of the vendors system software. Please refer to the MADNESS wiki for current examples for how to run on the Cray-XT5 and IBM BG/P.

\todo We might want to update this last paragraph.

Previous: \ref gstart_basics; Next: \ref gstart_functions
*/