"HPC with us" is a collection of on-line resources about running productive computations on Discoverer Petascale Supercomputer, a computer server in the lab, or on your Linux desktop

ABINIT 9.8.2 on Discoverer HPC

ABINIT is a powerful product for calculating variety of optical, mechanical, vibrational, and other observable properties of[…]

Create high productive CP2K 2022.1 build that works on AMD Zen2 microarchitecture

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of[…]

Compiling OpenBLAS 0.3.21 with OpenMP support using Intel oneAPI

OpenBLAS is a CPU-level optimized replacement to BLAS/LAPACK. In most cases it can substitute BLAS and/or LAPACK[…]

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