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MEP (both evolution and expression)

SMILES to mol2 converter based on OpenBabel (https://github.com/openbabel/openbabel)

This repository contains directive approach to GPU programming using OpenMP and OpenACC. This is the series of lectures on the GPU programming that CINECA is organising in the framework of Prace school.

Minimal reimplementation of openFOAM for testing data structures and GPU porting strategies

All the numeric kernels needed to run yoctoFOAM on a GPU using OpenACC

This course illustrates the key features of C language, with emphasis to modern programming style for scientific and technical applications particularly suitable to HPC environments. After a brief introduction on the C fundamentals we will discuss its flaws and strengths and the conceptual guidelines that allowed C to be one of the most widespread, efficient and general purpose languages even decades after its birth. We will show common idioms and best practices focusing on scientific and technical use cases.

Course for the parallel training school given by Cineca for Polimi. Organized by M. Cremonesi

Common interfaces for the yoctoFOAM project

Scripts for creating the input files for yoctoFOAM

This spank plugin for SLURM allows standard users to change frequencies for Nvidia GPUs. It takes care to restore the default frequencies at the end of the job.

This spank plugin for SLURM allows standard users to interact with the sysfs. It takes care to dump and restore permission on sysfs access.

This spank plugin for SLURM allows standard users to interact with the MSR-SAFE kernel module. It takes care to manage permissions, dump and restore MSR registers through MSR-SAFE driver.

Collection of additional PCG-based solvers for OpenFOAM

MPI - OpenMP course files