--- trunk/OOPSE/README 2003/03/21 17:42:12 378 +++ trunk/OOPSE/README 2003/04/03 13:43:02 444 @@ -1,3 +1,43 @@ -abandon all hope ye who compile here. +OOPSE -I'm the main Trunk version. +OOPSE is an open-source Object-Oriented Parallel Simulation Engine. +It is a mongrel code which uses no less than 5 programming languages +(although it is primarily written in C++ and Fortran95). Input files +are handled using the (included) Bizarre Atom Simulation Syntax (BASS) +library. The BASS library can handle atoms that don't fit the +standard picture of what the rest of the world uses for atoms +(i.e. our atoms can be "lumpy"; they have orientational degrees of +freedom). We can also handle some transition metal simulations using +the Embedded Atom Method (EAM) and other similar force fields. OOPSE +doesn't yet do force fields with charges, although it does handles +dipoles quite handily. + +What you need to compile and use OOPSE: + + 0) A strong stomach. Mixed-language code can get ugly. + + 1) *Good* C++ and Fortran95 compilers. We've built and tested OOPSE + using the Intel compilers (ifc and icc) on Linux machines. Outside + of our setup, you're pretty much on your own... + + 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 f90 bindings for MPI. These are built by MPICH if it finds a + f90 compiler. There might be others out there for other + implementations, but we haven't tested. Try starting here: + http://duvel.lowtem.hokudai.ac.jp/~jim/software/f90_mpi_lib.html + + 4) The Scalable Parallel Random Number Generators Library (SPRNG). You + can obtain SPRNG here: + http://archive.ncsa.uiuc.edu/Apps/CMP/RNG/RNG-home.html + +INSTRUCTIONS + + 1) Get, build, and test the required pieces above. + 2) ./configure + 3) make + 4) make install + +That's it. Documentation is for wimps.