c++ – ENCCS

We recently achieved two important objectives in our collaboration with VeloxChem: We helped port the code to compile […]

by ENCCS-Team

March 5, 2021

How to use MPI with a hybrid C++/Python code

The message passing interface (MPI) is the go-to technology for the development of distributed parallel programs. In this […]

This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 951732. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and Germany, Bulgaria, Austria, Croatia, Cyprus, Czech Republic, Denmark, Estonia, Finland, Greece, Hungary, Ireland, Italy, Lithuania, Latvia, Poland, Portugal, Romania, Slovenia, Spain, Sweden, United Kingdom, France, Netherlands, Belgium, Luxembourg, Slovakia, Norway, Switzerland, Turkey, Republic of North Macedonia, Iceland, Montenegro.

How We Package VeloxChem with conda-build

How to use MPI with a hybrid C++/Python code