[ViewVC] Annotation of: group/trunk/OOPSE/README

OOPSE

OOPSE is an open-source Object-Oriented Parallel Simulation Engine.
It is primarily used to perform molecular dynamics simulations on
"strange" atom types that are not normally handled by other simulation
packages.  This includes atoms with orientational degrees of freedom
(point dipoles, sticky atoms), as well as transition metals under the
Embedded Atom Method (EAM). 

Input files are handled using the (included) Bizarre Atom Simulation
Syntax (BASS) library.  

What you need to compile and use OOPSE:

 1) Good C, C++ and Fortran95 compilers.  We've built and tested OOPSE
    using version 8 of the Intel compilers (ifort, icpc and icc) on Linux
    machines.  We also routinely build and test under Mac OS X using the
    IBM compilers (xlf95, vac++).  OOPSE should build with g++ and gcc,
    but you'll still need a good fortran *95* compiler.  Fortran77 and
    Fortran90 are *not* sufficient to compile OOPSE.

 2) MPI.  We like MPICH.  Other implementations might work, but we
    haven't tried.  You can get MPICH here:
    http://www-unix.mcs.anl.gov/mpi/mpich/

 3) The Scalable Parallel Random Number Generators Library (SPRNG). You
    can obtain SPRNG here:  
    http://archive.ncsa.uiuc.edu/Apps/CMP/RNG/RNG-home.html

 4) Assorted unix utilities (lexx, yacc, make) or their GNU equivalents.

INSTRUCTIONS

 1) Get, build, and test the required pieces above.
 2) ./configure
 3) make
 4) make install

That's it.  Documentation will be forthcoming after the paper is
published.

Revision:	1332
Committed:	Fri Jul 16 16:44:45 2004 UTC (19 years, 11 months ago) by gezelter
File size:	1509 byte(s)
Log Message:	* empty log message *
#	User	Rev	Content
1	gezelter	381	OOPSE
2	mmeineke	377
3	gezelter	381	OOPSE is an open-source Object-Oriented Parallel Simulation Engine.
4	gezelter	1332	It is primarily used to perform molecular dynamics simulations on
5			"strange" atom types that are not normally handled by other simulation
6			packages. This includes atoms with orientational degrees of freedom
7			(point dipoles, sticky atoms), as well as transition metals under the
8			Embedded Atom Method (EAM).
9	gezelter	381
10	gezelter	1332	Input files are handled using the (included) Bizarre Atom Simulation
11			Syntax (BASS) library.
12
13	gezelter	381	What you need to compile and use OOPSE:
14
15	gezelter	1332	1) Good C, C++ and Fortran95 compilers. We've built and tested OOPSE
16			using version 8 of the Intel compilers (ifort, icpc and icc) on Linux
17			machines. We also routinely build and test under Mac OS X using the
18			IBM compilers (xlf95, vac++). OOPSE should build with g++ and gcc,
19			but you'll still need a good fortran 95 compiler. Fortran77 and
20			Fortran90 are not sufficient to compile OOPSE.
21	gezelter	381
22			2) MPI. We like MPICH. Other implementations might work, but we
23			haven't tried. You can get MPICH here:
24			http://www-unix.mcs.anl.gov/mpi/mpich/
25
26	gezelter	1332	3) The Scalable Parallel Random Number Generators Library (SPRNG). You
27	gezelter	444	can obtain SPRNG here:
28			http://archive.ncsa.uiuc.edu/Apps/CMP/RNG/RNG-home.html
29	gezelter	381
30	gezelter	1332	4) Assorted unix utilities (lexx, yacc, make) or their GNU equivalents.
31
32	gezelter	381	INSTRUCTIONS
33
34			1) Get, build, and test the required pieces above.
35			2) ./configure
36			3) make
37			4) make install
38
39	gezelter	1332	That's it. Documentation will be forthcoming after the paper is
40			published.
41