"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[…]
Intel retire their C/C++ classic compiler in mid 2023
Intel® C++ Compiler Classic (icc) is deprecated and will be removed in a oneAPI release in the[…]
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[…]
Which FFTW3 build to use on Discoverer
FFTW3 is an important library package that provides large number of HPC applications with a collection of[…]
LLVM 14
LLVM project released version 14.0.6 of their source code. Immediately after that the LLVM compiler infrastructure was[…]