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OOPSE |
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OOPSE is an open-source Object-Oriented Parallel Simulation Engine. |
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It is a mongrel code which uses no less than 4 programming languages |
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It is a mongrel code which uses no less than 5 programming languages |
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(although it is primarily written in C++ and Fortran95). Input files |
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are handled using the (included) Bizarre Atom Simulation Syntax (BASS) |
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library. The BASS library can handle atoms that don't fit the |
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freedom). We can also handle some transition metal simulations using |
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the Embedded Atom Method (EAM) and other similar force fields. OOPSE |
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doesn't yet do force fields with charges, although it does handles |
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dipoles quite easily. |
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dipoles quite handily. |
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What you need to compile and use OOPSE: |
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0) A strong stomach. Mixed-language code can get ugly. |
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1) Good C++ and Fortran95 compilers. We've built and tested OOPSE using |
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the Intel compilers (ifc and icc) on Linux machines. Outside of our |
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setup, you're pretty much on your own... |
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1) *Good* C++ and Fortran95 compilers. We've built and tested OOPSE |
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using the Intel compilers (ifc and icc) on Linux machines. Outside |
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of our setup, you're pretty much on your own... |
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2) MPI. We like MPICH. Other implementations might work, but we |
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haven't tried. You can get MPICH here: |
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http://duvel.lowtem.hokudai.ac.jp/~jim/software/f90_mpi_lib.html |
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4) The Scalable Parallel Random Number Generators Library (SPRNG). You |
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can obtain SPRNG here: http://sprng.cs.fsu.edu/ |
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can obtain SPRNG here: |
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http://archive.ncsa.uiuc.edu/Apps/CMP/RNG/RNG-home.html |
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INSTRUCTIONS |
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