Award Abstract # 2019144
MRI: Acquisition of Pinnacles -- Raising Research Computing to New Heights in California's Central Valley

NSF Org: OAC
Office of Advanced Cyberinfrastructure (OAC)
Recipient: UNIVERSITY OF CALIFORNIA, MERCED
Initial Amendment Date: July 22, 2020
Latest Amendment Date: September 7, 2022
Award Number: 2019144
Award Instrument: Standard Grant
Program Manager: Alejandro Suarez
alsuarez@nsf.gov
 (703)292-7092
OAC
 Office of Advanced Cyberinfrastructure (OAC)
CSE
 Directorate for Computer and Information Science and Engineering
Start Date: August 1, 2020
End Date: July 31, 2023 (Estimated)
Total Intended Award Amount: $700,000.00
Total Awarded Amount to Date: $700,000.00
Funds Obligated to Date: FY 2020 = $700,000.00
History of Investigator:
  • Hrant Hratchian (Principal Investigator)
    hhratchian@ucmerced.edu
  • Ashlie Martini (Co-Principal Investigator)
  • Suzanne Sindi (Co-Principal Investigator)
Recipient Sponsored Research Office: University of California - Merced
5200 N LAKE RD
MERCED
CA  US  95343-5001
(209)201-2039
Sponsor Congressional District: 13
Primary Place of Performance: University of California - Merced
5200 North Lake Road
Merced
CA  US  95343-5001
Primary Place of Performance
Congressional District:
13
Unique Entity Identifier (UEI): FFM7VPAG8P92
Parent UEI:
NSF Program(s): CYBERINFRASTRUCTURE,
Major Research Instrumentation,
Information Technology Researc
Primary Program Source: 01002021DB NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s): 1189
Program Element Code(s): 723100, 118900, 164000
Award Agency Code: 4900
Fund Agency Code: 4900
Assistance Listing Number(s): 47.070

ABSTRACT

Scientific computing plays a central role in knowledge discovery and scientific advancement. This award will result in the acquisition of a shared high-performance computing (HPC) cluster named Pinnacles at the University of California, Merced (UCM). Building on an increasing strength in scientific computing at UCM, the nation?s first new research-intensive university of the 21st century, this project will deploy a new state-of-the-art HPC to enable exciting cutting-edge science and facilitate advanced research training that will promote the progress of science. UCM, an Hispanic Serving Institution, is also uniquely positioned to leverage the new HPC to provide access and training opportunities for students from underrepresented groups.

Pinnacles will serve as a centerpiece for high-impact work in three scientific research pillars: (1) modeling and simulation of complex systems; (2) data enabled science; and (3) numerical optimization. This shared HPC cluster will be used by researchers to advance a broad array of conventional disciplines. Indeed, senior personnel involved in the project span all three of UCM?s academic schools, with work ranging from quantum chemistry to cognitive science. With a central focus on HPC and serving as a collaboration incubator, the Pinnacles cluster will facilitate knowledge discovery by supporting researchers working in their individual research areas and enhancing interdisciplinary collaborations to strengthen advancements at the boundaries of traditional disciplines. In addition to exciting broad scientific opportunities, Pinnacles will support early career researchers and advance learning and research experience opportunities for a diverse and underserved student population.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Baker, Sarah I. and Yaghoubi, Mahshid and Bidwell, Samantha L. and Pierce, Savannah L. and Hratchian, Hrant P. and Baxter, Ryan D. "Enhanced Reactivity for Aromatic Bromination via Halogen Bonding with Lactic Acid Derivatives" The Journal of Organic Chemistry , 2022 https://doi.org/10.1021/acs.joc.2c00611 Citation Details
Galloway, Jordan D. and Sarabia, Cristian and Fettinger, James C. and Hratchian, Hrant P. and Baxter, Ryan D. "Versatile New Reagent for Nitrosation under Mild Conditions" Organic Letters , v.23 , 2021 https://doi.org/10.1021/acs.orglett.1c00637 Citation Details
Zamani, Abdulrahman Y. and Hratchian, Hrant P. "Assessing the performance of SCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies" The Journal of Chemical Physics , v.157 , 2022 https://doi.org/10.1063/5.0100638 Citation Details

PROJECT OUTCOMES REPORT

Disclaimer

This Project Outcomes Report for the General Public is displayed verbatim as submitted by the Principal Investigator (PI) for this award. Any opinions, findings, and conclusions or recommendations expressed in this Report are those of the PI and do not necessarily reflect the views of the National Science Foundation; NSF has not approved or endorsed its content.

The Pinnacles project involved the acquisition and deployment of a shared high-performance computing (HPC) cluster named Pinnacles. The Pinnacles HPC cluster serves as a centerpiece for UC Merced research computing and a catalyst for community building among computational scientists. The Pinnacles cluster supports three core scientific research pillars: (1) modeling and simulation of complex systems; (2) data enabled science; and (3) numerical methods and model development. Pinnacles actively supports faculty-led research groups across the full spectrum of science and engineering fields at UC Merced.

Due to supply chain delays resulting from the global Covid-19 pandemic, hardware procurement was significantly impacted. Indeed, delivery and deployment of Pinnacles occured roughly 18 months later than initially planned. As a result, scientific outcomes facilitated by this project are delayed. Nevertheless, the Pinnacles cluster has been running well since and new scientific advancements are in process.

Pinnacles has served more than 800 faculty, postdoctoral, and undergraduate and graduate student users spanning several UC Merced departments. Each month Pinnacles is providing more than 2,000,000 CPU hours of computing, serving as a major provider of research support for the UC Merced community and advancing scientific exploration and discovery.

Students and post-doctorals are becoming experts at high-performance computing because of their ready access to Pinnacles. Additionally, the cluster serves as a centerpiece for developing a research computing community, which expands networking and peer learning opportunities. Pinnacles serves as a conduit for scientific exchange through periodic meetings to discuss state-of-the-art developments in HPC, interdisciplinary scientific computing seminars, and exploration of opportunities for multi-disciplinary collaborations as well as facilitating collaborations.

This award provided new capabilities that facilitate new methods and applications for the full user community. The addition of the Pinnacles cluster has enhanced UC Merced's strength in research computing. The cluster also supports a sense of community among research computing scholars on our campus, which provides opportunities for developing new collaborative and interdisciplinary resaerch directions.


Last Modified: 12/06/2023
Modified by: Hrant P Hratchian

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