Information

Official site

http://mdacp.sourceforge.net/

License

3-clause BSD license  hwatanabe@issp.u-tokyo.ac.jp

Availability

General Linux/Unix environment; PC Clusters, Mac OS X, etc. Previously run on K supercomputer, The Institute for Solid State Physics (SGI Altix ICE8400EX, Fujitsu PRIMEHPC FX10), etc.

Core Developers

Hiroshi Watanabe (The Institute for Solid State Physics, The University of Tokyo),
Masaru Suzuki(Faculty of Engineering, Kyushu University),
Nobuyasu Ito(Graduate School of Engineering, The University of Tokyo)

Target substance/model

General phase transition between gas, liquid, and solid.

Physical quantities that can be computed

Temperature, pressure, and density distribution

Methodology

Short-range molecular dynamics method

Parallelization

Parallel computing by MPI and OpenMP is supported. Operation using 32768 nodes (262144 processes) by Flat-MPI and operation using 82944 nodes (663552 threads) by hybrid parallel computing have been checked on the K-computer.

Related keywords
Document

Describe Version 1.00 (flat MPI)

Describe Version 2.00 (MPI+OpenMP hybrid)