Scaling virtual screening to ultra-large virtual chemical libraries
Kicking off the OSG User School Showcase, Spencer Ericksen, a researcher at the University of Wisconsin-Madison’s Carbone Cancer Center, described how high throughput computing (HTC) has made his work in early-stage drug discovery infinitely more scalable.
HTCondor Software Suite (HTCSS) provides an array of services for automating and managing High Throughput workloads and computing capacity.
HTCSS Impact
View the contributions of HTCSS to the world of computing, scientific research, and the projects using it across the globe.
See the Impact of HTCSS
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.
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.
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.
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.
Erik Wright: A Biologist Using High Throughput Computing to Unravel Antibiotic Resistance
In his quest to analyze antibiotic resistance, researcher Erik Wright has relied on capacity from the Open Science Pool (OSPool) for over twelve years, this Fall surpassing 25 million jobs over the last 12 months alone.