Case Study

Ace provides North Carolina State with a Linux Cluster for Quantum Chemistry.

Ace provides North Carolina State with a Linux Cluster for Quantum Chemistry.

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Case Study “Murgas” 240 Core HPC Cluster from Ace “The system we purchased from Ace Computers is an ideal setup for quantum chemistry calculations using a variety of commercial as well as custom- made codes. Some of the codes we use can only run as shared- memory parallel programs, while others ran across the nodes. Our calculations are often memory-bound and some create large temporary files on the compute nodes, making a lot of memory and a large disk a necessity. Having a rack cluster with several nodes, high density of cores per node, 2GB RAM/core and at least 1TB disk on each compute node, gives us the flexibility we need in our research.” Elena Jakubikova Assistant Professor Computational Chemistry Ace provides North Carolina State with a Linux

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