Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aerq_v1_0.tar.gz(1763 Kbytes)|
|Manuscript Title: SYMPLER: SYMbolic ParticLE simulatoR with grid-computing interface|
|Authors: David Kauzlarić, Marek Dynowski, Lars Pastewka, Andreas Greiner, Jan G. Korvink|
|Program title: SYMPLER|
|Catalogue identifier: AERQ_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 185(2014)1085|
|Programming language: C++.|
|Computer: Any system operatable with Linux.|
|Operating system: Linux, MacOS.|
|Has the code been vectorised or parallelized?: Experimental OpenMP parallelisation for usually up to 8 cores, the grid-version can use hundreds of cores.|
|RAM: tens of MB to several GB, depending on problem.|
|Keywords: Molecular dynamics, Dissipative particle dynamics, Smoothed particle hydrodynamics, Symbolic computation, Runtime compilation, Object oriented programming.|
|PACS: 31.15.-p, 05.10.-a, 47.11.-j, 46.15.-x.|
|Classification: 7.7, 12, 16.1, 16.3, 16.13, 23.|
External routines: GSL, libxml2; optional: libsdl, OpenMP, libjama, libtnt, libsuperlu
Nature of problem:
A unified flexible and modular simulation tool allowing for the investigation of structural, thermodynamic, and dynamical properties of fluids and solids from microscopic over mesoscopic up to macroscopic time and length scales with suitable particle based simulation methods such as molecular dynamics, dissipative particle dynamics or smoothed particle hydrodynamics. The user should be enabled to freely define his own physical models without the need for recoding or code extensions.
SYMPLER provides flexibility to the user by
Classical deterministic and stochastic Newtonian dynamics.
Symbolic runtime-compiled user-defined expressions.
The current version and all future updates to the code are also found at http://sympler.org.
Some benchmarks are given in the paper. The running time is problem dependent and ranges from seconds to days.
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