Ollama
Ollama is an open-source inference server supporting a number of generative AI models. This module also includes Open-WebUI, which provides an easy-to-use web interface.
GPU-enabled
CUDA Quantum
CUDA Quantum is a platform for developing quantum-classical applications that leverages NVIDIA's CUDA technology. This platform provides a framework to create and execute quantum algorithms on quantum processors while integrating with classical computing resources. It is designed to accelerate quantum computing tasks and support hybrid quantum-classical workflows, making it an essential tool for researchers and developers in the field of quantum computing.
NCCL
The NVIDIA Collective Communication Library (NCCL) implements multi-GPU and multi-node communication primitives optimized for NVIDIA GPUs and Networking. NCCL provides routines such as all-gather, all-reduce, broadcast, reduce, reduce-scatter as well as point-to-point send and receive that are optimized to achieve high bandwidth and low latency over PCIe and NVLink high-speed interconnects within a node and over NVIDIA Mellanox Network across nodes.
Clara Parabricks
Clara Parabricks is a powerful toolkit designed for genomic analysis. It is primarily designed for GPU computation.
MotionCor2
MotionCor2 uses multi-GPU acceleration to correct anisotropic cryo-electron microscopy images at the single pixel level across the whole frame, making it suitable for single particle and tomographic images. Iterative, patch-based motion detection is combined with spatial and temporal constraints and dose weighting.
Availability and Restrictions
Versions
The following versions are available on OSC clusters:
Owens Programming Environment (PBS)
This document is obsoleted and kept as a reference to previous Owens programming environment. Please refer to here for the latest version.
PyTorch
PyTorch is an open source machine learning framework with GPU acceleration and deep neural networks that is based on the automatic differentiation in the Torch library of tensors.
VMD
VMD is a visulaization program for the display and analysis of molecular systems.
Availability and Restrictions
Versions
The following versions of VMD are available on OSC clusters:
Owens Programming Environment
Compilers
C, C++ and Fortran are supported on the Owens cluster. Intel, PGI and GNU compiler suites are available. The Intel development tool chain is loaded by default. Compiler commands and recommended options for serial programs are listed in the table below. See also our compilation guide.
2014/02 - Computational Chemistry on the GPUs
The February 2014 SUG HPC Tech Talk focused on using the NVIDIA GPUs for computational chemistry. Slides are attached.
