NWChem

NameNWChem
DescriptionThe goal of this work is to provide a federated heterogeneous infrastructure that can be federated on demand for scientists and scientific applications. The goal of this work is to integrate OSG as a part of the federated infrastructure cloud. The federation leverages the CometCloud software, currently being developed at Rutgers University. NWChem is the initial application to be used on OSG resources. A parallel in time algorithm will run multiple NWChem instances on the OSG resources, where each instance has different input parameters. The collective output of all instances is then gathered and analyzed.
OrganizationRutgers University
DepartmentElectrical & Computer Engineering
Sponsor Virtual OrganizationOSG
Principal Investigator
Manish Parashar
Field Of ScienceComputer and Information Science and Engineering
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