Empowering Computational Materials Science Research using HTC


Ajay Annamareddy, a research scientist at the University of Wisconsin-Madison, describes how he utilizes high-throughput computing in computational materials science.

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HTCondor Software Suite (HTCSS) provides an array of services for automating and managing High Throughput workloads and computing capacity.

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Campuses with awards from the NSF Campus Cyberinfrastructure (CC*) Program play an important role in supporting Open Science. To date, 25 CC* campuses contribute to the processing and storage capacity of the Open Science Pool (OSPool) that is powered by HTCSS.

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HTCondor is a software system that creates a High-Throughput Computing (HTC) environment. It effectively uses the computing power of machines connected over a network, be they a single cluster, a set of clusters on a campus, cloud resources either standalone or temporarily joined to a local cluster, or international grids. Power comes from the ability to effectively harness shared resources with distributed ownership.

Learn More About HTCondor

The HTCondor-CE software is a Compute Entrypoint (CE) based on HTCondor for sites that are part of a larger computing grid (e.g. European Grid Infrastructure, Open Science Grid). As such, HTCondor-CE serves as a "door" for incoming resource allocation requests (RARs) — it handles authorization and delegation of these requests to a grid site's local batch system. Supported batch systems include Grid Engine, HTCondor, LSF, PBS Pro/Torque, and Slurm.

Learn More About HTCondor-CE

HTCondor is a software system that creates a High-Throughput Computing (HTC) environment. It effectively uses the computing power of machines connected over a network, be they a single cluster, a set of clusters on a campus, cloud resources either standalone or temporarily joined to a local cluster, or international grids. Power comes from the ability to effectively harness shared resources with distributed ownership.

Learn More About HTCondor

The HTCondor-CE software is a Compute Entrypoint (CE) based on HTCondor for sites that are part of a larger computing grid (e.g. European Grid Infrastructure, Open Science Grid). As such, HTCondor-CE serves as a "door" for incoming resource allocation requests (RARs) — it handles authorization and delegation of these requests to a grid site's local batch system. Supported batch systems include Grid Engine, HTCondor, LSF, PBS Pro/Torque, and Slurm.

Learn More About HTCondor-CE