Using computational science to enable and accelerate research

The Department of IT Research Computing at Roswell Park provides training and expertise in a variety of scientific software codes, programming languages, computational methods, visualization platforms, machine learning tools, computational pipelines and software workflows.

We also offer training and access to high performance computing facilities maintained by Roswell Park's IT department, as well as our partners at the University at Buffalo Center for Computational Research (UB CCR).

Computing assets

Roswell Park HPC Cluster

Roswell Park HPC cluster

1,600 processors (32 TFLOPS)
450 TB storage, 10.5 TB RAM

UB CCR Cluster

UB CCR cluster

24,320 processors (1.2 PFLOPS)
4.7 PB storage, 135 TB RAM

Training topics

  • Quarterly “on-boarding” of new high-performance computing (HPC) users
  • Machine learning techniques and related software, including Keras, TensorFlow, PyTorch
  • Introductory programming, including Python, R, MATLAB, C/C++, or Fortran
  • Using cloud computing services, including configuring OpenStack and AWS instances, using elastic storage, cloud service cost models
  • Using containers, including Docker and Singularity, creating containers, running containerized software
  • Advanced programming topics, including high-performance computing, data ingestion, data modeling and regression, plotting and visualization, computational pipelines and software workflows
  • Scientific software, including ParaView, VTK, MeshLab, ABAQUS, ANSYS, COMSOL, LS-DYNA, StarCCM, OpenFOAM, OpenSEES, PETSc, LAMMPS and NAMD

Grant support

IT Research Computing staff can serve as co-PI or Senior Personnel on grant proposals developed by Roswell Park researchers. For a given grant, up to 10% effort (4 hours per week) per staff member may be devoted to the following grant-related activities:

  • Pre-award phase (proposal development): Facilities descriptions; descriptions of software workflows, architectures, and/or pipelines; budgets and milestones for software development; data management plans
  • Award phase (direct contributions to funded grant): Progress reports; student training and mentorship; developing and implementing computational algorithms; integrating software tools into new scientific workflows
  • Post-award phase (reporting results): Project summaries; manuscript preparation, submission, and revision; archiving data; maintaining software repositories

Cost recovery is required for direct contributions of IT staff to funded grants – be sure to budget appropriately!

Submitting help requests through ServiceNow

NOTE: For internal teams only

Know IT

  • How-to articles and user guides
  • Archived training materials
  • Answers to frequently asked questions
  • Instructions for running specific software in an HPC environment

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Request IT

  • Obtain an account on the HPC cluster
  • Install scientific software
  • Set up group or individual training
  • Assess computing needs of a research project
  • Make research-related software and hardware purchases
  • Port, profile, and optimize research codes

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Fix IT

  • Failed compute jobs
  • Problems logging onto the HPC cluster
  • Problems transferring data
  • Problems checking out licenses for scientific software
  • Error messages and failed calculations

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