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Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes.
Emanuele Vitali
Davide Gadioli
Gianluca Palermo
Andrea Beccari
Carlo Cavazzoni
Cristina Silvano
Published in:
CoRR (2019)
Keyphrases
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high performance computing
molecular dynamics
massively parallel
scientific computing
mobile applications
shortest path
directed graph
fault tolerance
parallel computing
dna computing
user experience
graph structure
three dimensional
computing systems
grid computing
drug discovery
shared memory
energy efficiency
query processing