• HoomdBlue is a Molecular Dynamics simulation using a custom force field.
• GPUDirect specific features selection and tuning significantly benefit the HoomdBlue application. We observe a factor of 2X improvement on 32 GPU nodes, with both 64K and 256K particles

Library Version: MVAPICH2-GDR 2.2b

Runtime Flags: MV2_USE_CUDA=1 MV2_USE_GPUDIRECT=1 MV2_GPUDIRECT_GDRCOPY=1

System Details: Wilkes@Cambridge: 128 Ivy Bridge nodes, each node is a dual 6-cores socket with Mellanox FDR interconnect

Tags: HoomdBlue

Submitted by Khaled Hamidouche @ OSU

Last Modified April 19, 2016, 10:19 a.m.