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Computing, Networking, Storage and Analysis
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SCHEDULE: NOV 15-20, 2015

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Optimization Strategies for Materials Science Applications on Cori: An Intel Knights Landing, Many Integrated Core Architecture

SESSION: Regular & ACM Student Research Competition Poster Reception

EVENT TYPE: Posters, Receptions, ACM Student Research Competition

EVENT TAG(S): HPC Beginner Friendly, ACM Student Research Competition Poster

TIME: 5:15PM - 7:00PM

SESSION CHAIR(S): Michela Becchi, Manish Parashar, Dorian C. Arnold

AUTHOR(S):Luther D. Martin

ROOM:Level 4 - Lobby


NERSC is preparing for the arrival of its Cray XC40 machine dubbed Cori. Cori is built on Intel’s Knights-Landing Architecture. Each compute node will have 72 physical cores and 4 hardware threads per core. This is 6x the number of physical cores and 10x the number of virtual cores than the Cray XC30 machine. Cori also comes with a larger hardware vector unit, 512 bits, and high-bandwidth, on-package memory. While most of the current applications that currently run on NERSC's XC30 machine will be able to execute on Cori with little to no code refactoring, they will not be optimized and may suffer performance loss. This paper recounts the effectiveness of three optimization strategies on the materials science application VASP:
1. Increasing on node parallelism by adding OpenMP where applicable.
2. Refactoring code to allow compilers to vectorize loops
3. Identifying candidate arrays for the high-bandwidth, on-package memory.

Chair/Author Details:

Michela Becchi, Manish Parashar, Dorian C. Arnold (Chair) - University of Missouri|Rutgers University|University of New Mexico|

Luther D. Martin - National Energy Research Scientific Computing Center

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