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Compilers
C, C++ and Fortran are supported on the Cardinal cluster. Intel, oneAPI 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.
These are the public key fingerprints for Cardinal:
cardinal: ssh_host_rsa_key.pub = 73:f2:07:6c:76:b4:68:49:86:ed:ef:a3:55:90:58:1b
cardinal: ssh_host_ed25519_key.pub = 93:76:68:f0:be:f1:4a:89:30:e2:86:27:1e:64:9c:09
cardinal: ssh_host_ecdsa_key.pub = e0:83:14:8f:d4:c3:c5:6c:c6:b6:0a:f7:df:bc:e9:2e
PyTorch Fully Sharded Data Parallel (FSDP) is used to speed-up model training time by parallelizing training data as well as sharding model parameters, optimizer states, and gradients across multiple pytorch instances.
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.
Memory limit
OSC's new Cardinal cluster is a heterogeneous system featuring Dell PowerEdge servers and the Intel® Xeon® CPU Max Series with high bandwidth memory (HBM) as the foundation to efficiently manage memory-bound HPC and AI workloads. Below is a summary of the hardware information:
MVAPICH is a standard library for performing parallel processing using a distributed-memory model.
PyTorch Distributed Data Parallel (DDP) is used to speed-up model training time by parallelizing training data across multiple identical model instances.
AutoDock is a a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock has applications in X-ray crystallography, structure-based drug design, lead optimization, etc.