Autogenerating gpu-accelerated LAMMPS pair styles

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Autogenerating gpu-accelerated LAMMPS pair styles

Autogenerating gpu-accelerated LAMMPS pair styles

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Related work<br />

• Molecular Dynamics: OpenMM, NAMD<br />

• Unstructured Grid: OP2, Liszt<br />

• Other: SPIRAL, FFTW, ATLAS<br />

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Dynamics Of Entangled Polymers: Using LAMMPS For Large Scale

LAMMPS on GPUs

LAMMPS for beginners - Sandia National Laboratories

GPU Acceleration in LAMMPS

Peridynamics - Lammps - Sandia National Laboratories

Evaluating Continuum Mechanical Quantities at the ... - Lammps

effects of surface charge density and distribution on the ... - Lammps

Melting point and solid-liquid free energy computation using - Lammps

Entanglements and Mechanical Strength of Polymer Welds - Lammps

Atomic Simulation Guides Nanomechanics Theory - Lammps

Enhancing LAMMPS Capabilities

Pressure regulation and immobilized atoms - Lammps

Teaching with LAMMPS - Sandia National Laboratories

Multiscale modeling of PECVD generated Silicon films ... - Lammps

Applications of GPU package to soft matter simulations - Lammps

Related work • Molecular Dynamics: OpenMM, NAMD • Unstructured Grid: OP2, Liszt • Other: SPIRAL, FFTW, ATLAS 8

The NxM problem LJ Hertz Hooke GB LJ Hertz Hooke GB multicore/avx implementations LJ Hertz Hooke GB cuda <strong>gpu</strong> implementations 9

Page 1 and 2: Autogenerating gpuaccelerated LAMMP
Page 3 and 4: vs. writing experiments __global__
Page 5 and 6: Hardware choices • Intel SCCC, MI
Page 7: Key idea: abstraction • Separate
Page 11 and 12: Step 1. Create parameter file name:
Page 13 and 14: Step 2. Add detail to generated cod
Page 15: Experimental evaluation • Simulat
Page 18 and 19: Runtime costs 18
Page 20 and 21: Future work • Modifying pairgen t
Page 23 and 24: Experiment details 23
Page 25: Hardware • Intel P4 3.6GHz • 2G