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Consortium for Computational Physics and Chemistry

A research collaboration of national laboratories for the U.S. DOE Bioenergy Technologies Office



New: Bioenergy Technologies Office High Performance Computing on Summit available for national laboratory users (see user call).

High Performance Computing (HPC) program
Bioenergy Technologies Office (BETO) of the U.S. Department of Energy

Overview

The U.S. Department of Energy (DOE) Bioenergy Technologies Office (BETO) is offering allocations on the Summit supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) for computational projects which benefit the BETO mission. The Consortium for Computational Physics and Chemistry (CCPC) is administering the program for BETO.

The BETO-HPC program anticipates soliciting proposals at the start of each fiscal quarter starting with FY2020 Q3 under a structured, competitive review process. However, applications are accepted at any time, with resources being allocated based on availability. Two types of projects tied to specific BETO tasks or interests are acceptable:

  1. Preliminary scoping allocations will be granted to allow investigators to prepare their codes for running on Summit and for benchmarking on representative problems to estimate needs for follow-on scientific projects. Allocations will be O(100; for instance, in the range of 50–200, but not exclusively that range) node-hours to cover compiling, debugging, and limited scaling tests over a 3-month period.
  2. Scoped, scientific project allocations will be granted for research to meet BETO objectives. Scoped projects are those whose codes have previously run on Summit. Allocations will be O(10000; for instance, in the range of 1000–10000) node-hours over a (typically) 3–6 month period. A BETO-HPC project could be used to prepare for larger ASCR allocations via the ALCC or INCITE programs.

Eligibility

Any DOE national laboratory staff conducting research and development supported by BETO is eligible to apply. Awarded projects will receive allocations of computing time; funding support for users must be provided by the current BETO project supporting the research. The appropriate WBS element(s) should be specified in the proposal summary.

Application

Applications are currently being accepted at any time. Questions should be addressed to beto-hpc@cpcbiomass.org. Proposals will be reviewed by a committee composed of DOE, LCF, and CCPC/national laboratory representatives. Criteria for reviewing proposals will include:

  • Clear and sound objective [10%]
  • Impact to BETO project and the bioenergy community [25%]
  • Need for HPC resources to achieve objective and readiness for HPC use [25%]
  • Technical approach [25%]
  • Experience of proposal team [15%]

Please apply at the following link:

www.olcf.ornl.gov/for-users/documents-forms/eere-project-proposal/

Administrative details

Both types of projects require creation of a user account with OLCF to manage authentication and accounting. In addition, PIs will sign an agreement covering aspects such as data sensitivity.

Important: All codes run on OLCF resources must be reviewed for export-control compliance, and this process can take several weeks. If you are intending to apply for either type of project, please email the name of the code and appropriate URLs to beto-hpc@cpcbiomass.org as soon as possible, even before submitting the project proposal, to allow time for this review.



Links

chemcat

The CCPC is an enabling project in the ChemCatBio consortium

energynetwork

ChemCatBio is part of DOE’s Energy Materials Network

fcic

Feedstock-Conversion Interface Consortium

BioESep

Bioprocessing Separations Consortium

BETO
U.S. DOE Bioenergy Technologies Office

Billion Ton Report
2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy

NREL Thermal and Catalytic Process Development Unit
Home to thermochemical reactors and pilot plants that CCPC models

PNNL Bioproducts, Sciences, and Engineering Laboratory
Home to upgrading reactors and pilot plants that CCPC models

Open source code and tools

GitHub
Computational models and functions developed by consortium members.

Surface Phase Explorer
Create interactive and downloadable surface phase diagrams from ab initio data.