MICCoM-Data project has been created and granted 150k for the first half and default project quota set to 2TB. - JB On Mon, Nov 9, 2015 at 12:55 PM, [email protected] <[email protected]> wrote:

Hello,

A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee.

Applicant's name: Ray Bair Applicant's institution: ANL Applicant's division: MCS Project Name: MICCoM-Data Project title: MICCoM Data Environment Associated funding: BES Other Systems: Science: The Midwest Integrated Center for Computational Materials (MICCoM) develops and disseminates interoperable open source software, data, simulation codes and validation procedures, enabling the community to simulate and predict properties of functional materials for energy conversion processes. Emphasis is on interfaces, the transport across them, and the manipulation of matter under conditions far from equilibrium. Project description: This project supports the code and tool development and sample runs to build the MICCoM Materials Data Environment (MDE). We will be making test runs with Qbox, WEST/Quantum Espresso, SSAGES, LAMMPS, HOOMD-blue, and some APS data analysis codes. Most of the test problems will be small, e.g., a dozen nodes for less than a hour. These runs will be used to develop and test database schemas and data/provenance ingest, and to develop and test workflows with Swift. At least one code (HOOMD) uses a Python scripting capability too. Industry partnership: Project URL: http://miccom-center.org Requested allocation: 350000 Q1: 50000 Q2: 100000 Q3: 100000 Q4: 100000 Justification: Storage requirements: 2 TB to store the datasets used in development work, including some from larger runs by others on other computers.

The requester has used undetermined amount hours of their initial startup project.

In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see:

https://wiki.lcrc.anl.gov/wiki/Processes/Categories

Once the Allocation committee has approved the project, please go to the Project Management page to create it:

https://accounts.lcrc.anl.gov/projects.php

Thank You, The LCRC Accounts System _______________________________________________ allocations-admins mailing list [email protected] https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins