0000000000820172
AUTHOR
Zhiqiang Zhang
mD3DOCKxb: An Ultra-Scalable CPU-MIC Coordinated Virtual Screening Framework
Molecular docking is an important method in computational drug discovery. In large-scale virtual screening, millions of small drug-like molecules (chemical compounds) are compared against a designated target protein (receptor). Depending on the utilized docking algorithm for screening, this can take several weeks on conventional HPC systems. However, for certain applications including large-scale screening tasks for newly emerging infectious diseases such high runtimes can be highly prohibitive. In this paper, we investigate how the massively parallel neo-heterogeneous architecture of Tianhe-2 Supercomputer consisting of thousands of nodes comprising CPUs and MIC coprocessors that can effic…
Robust Control Allocation for Spacecraft Attitude Stabilization under Actuator Faults and Uncertainty
A robust control allocation scheme is developed for rigid spacecraft attitude stabilization in the presence of actuator partial loss fault, actuator failure, and actuator misalignment. First, a neural network fault detection scheme is proposed, Second, an adaptive attitude tracking strategy is employed which can realize fault tolerance control under the actuator partial loss and actuator failure withinλmin=0.5. The attitude tracking and faults detection are always here during the procedure. Once the fault occurred which could not guaranteed the attitude stable for 30 s, the robust control allocation strategy is generated automatically. The robust control allocation compensates the control …