MP2C

Principal Investigator: 

Godehard Sutmann
Forschungszentrum Jülich, JSC
Email: g.sutmann@fz-juelich.de

Rene Halver
Forschungszentrum Jülich, JSC
Email: r.halver@fz-juelich.de

Other application users/developers: 

Forschungszentrum Jülich institutes (ICS, PGI, IEK)

Scientific area: 
Soft Matter Physics
Abstract: 
MP2C implements the multi-particle collision dynamics method, which is a particle based description of hydrodynamics taking into account thermal fluctuations and making it possible to simulate flow phenomena on a mesoscopic level. In addition, a molecular dynamics part allows the simulation of particles, e.g. colloids or polymers, which are coupled to the hydrodynamics description in a consistent way on the particle level, which allows to take into account a hydrodynamic coupling between solvated particles, relevant for structural and dynamic effects. Different boundary conditions allow various experimental settings, like shear boundary conditions or channel flow. To account for an inhomogeneous distribution of solute particles, a load-balancing strategy, based on an unstructured sub-domain distribution, is implemented to support parallel scaling of the program.
Scalability: 
458,752 cores on BlueGene/Q 262,144 cores on BlueGene/P 17,664 cores (JUROPA cluster)
Versions: 
MPI
Other: 
OmpSs(+OpenCL) Version under development for the project
Tested on platforms: 

BlueGene/Q, /P and /L
x86 (JUROPA cluster / JUDGE cluster)
CRAY XT4/XT5

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