Archive: Mar 2022

  • Molpro User Notes

    Molpro is a comprehensive toolkit for ab initio electronic structure calculations. See https://www.molpro.net/ for more details.We have built Molpro 2022.1.1 using Global Arrays with the MPI-PR option. This means that your Molpro job will actually run with one less task per node… Read More

Archive: Mar 2022 Sidebar