Programs in Physics & Physical Chemistry
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|Manuscript Title: GenASiS Basics: Object-oriented utilitarian functionality for large-scale physics simulations|
|Authors: Christian Y. Cardall, Reuben D. Budiardja|
|Program title: GenASiS|
|Catalogue identifier: AEXE_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 196(2015)506|
|Programming language: Fortran 2003 (tested with gfortran 4.9.2, Intel Fortran 15, NAG Fortan 5.3.1, Cray Compiler 8.2.5).|
|Computer: PC, cluster, supercomputer.|
|Operating system: Linux, Unix.|
|RAM: For example problems, depends on user-specified problem size and number of processes. The fluid dynamics problems with 1283 cells on 8 processes use about 300 MB per process. The molecular dynamics problems with 6912 particles on 12 processes use about 20 MB per process.|
|Keywords: Simulation framework, Object-oriented programming, Fortran 2003.|
|Classification: 4.14, 6.5, 20.|
External routines: MPI  and Silo 
Nature of problem:
By way of illustrating GenASiS Basics functionality, solve example fluid dynamics and molecular dynamics problems.
For fluid dynamics examples, finite-volume. For molecular dy- namics examples, leapfrog and velocity-Verlet integration.
The example problems named above are not ends in themselves, but serve to illustrate our object-oriented approach and the functionality available though GenASiS Basics. In addition to these more substantial examples, we provide individual unit test programs for each of the classes comprised by GenASiS Basics.
A version of the GenASiS Basics source code is available from the CPC program library with this publication, and minor revisions will be maintained at http://astro.phys.utk.edu/activities:genasis.
For example problems, depends on user-specified problem size and number of processes. The fluid dynamics problems with 1283 cells on 8 processes take about ten minutes of wall clock time on a Cray XC30. The molecular dynamics problems with 6912 particles for 10000 time steps on 12 processes take a little over an hour on a Cray XC30.
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