Software

Prerequisities Science (CNCZ) account. Being member of the qm, qmorgchem or qmteaching and gaussian groups (ask Jan for access). Vpn (when working from home). SSH client (linux usually has OpenSSH, windows - for instance MobaXterm or Putty). X11 client (linux usually has OpenSSH, windows - for instance MobaXterm (optional) WinSCP Video guides GUIDE how to setup environment for Gaussian calculations in windows. Setting-up the environment (to be done once) To submit calculations easily you need to set-up the environment first. ...

Mathematica is a mathematical software package made by Wolfram Research. C&CZ manages the network license for the concurrent use of Mathematica within Radboud University. The license for a small number, ca. 20, of concurrent users of Mathematica, is paid for by C&CZ and may be used freely by students and staff of the Faculty of Science. Until the end of 2023, there temporarily was an unlimited license for all RU staff and students. Users/departments from other parts of the campus can use Mathematica for a yearly reimbursement of the license costs. ...

Maple by Waterloo Maple’s Maplesoft is an interactive computer-algebra system, for which C&CZ has acquired a license. The license of Maple is a 4-user concurrent license in 2023 and a 2-user in 2024.

The C&CZ administered “4 concurrent user” license for Maple has been continued until December 31, 2022. The latest version of Maple, Maple2021.2, for Windows/macOS/Linux can be found on the Install network share and has been installed on C&CZ managed Linux computers. License codes can be requested from C&CZ helpdesk or postmaster.

To make it easier to install NI LabVIEW for departments that participate in the license, the newly arrived “Spring 2021” version has been copied to the Install network share. Install media can also be borrowed. License codes can be obtained from C&CZ helpdesk or postmaster. For macOS/Linux this version is necessary, for MS Windows one can also install LabVIEW from the NI website.

The latest version of Matlab, R2021b, is available for departments that have licenses. The software and license codes can be obtained through a mail to postmaster for those entitled to it. The software can also be found on the install-disc. All C&CZ-managed Linux machines will soon have this version installed, an older version (/opt/matlab-R2021a/bin/matlab) is still available temporarily. The C&CZ-managed Windows machines will not receive a new version during the semester to prevent problems with version dependencies in current lectures.

Mnova is a multivendor software suite designed for processing data from NMR, LC-MS, GC-MS, and Electronic & Vibrational Spectroscopic techniques (UV-VIS, FT-IR etc.). Mnova is available for installation on Windows, Linux, and MacOS machines. Employees and students from the Faculty of Science can install mestreNova under the university site licence on their personal computer. Currently the faculty holds a site license for MNova 15. Installation & license files can be found on the install share in \install\science\MestreNova. ...

New Intel compilers (Intel OneAPI Base and HPC Toolkits) The newest versions of the Intel compilers, available under the name Intel OneAPI, do no longer require a license, they are freely available. The 2023.2 version has been installed on C&CZ managed Ubuntu systems. When they are available, the module command module avail will list among others “compiler/latest”, so e.g. the Intel C (icc) and Fortran (ifort) compilers can be used after typing ...

Most licensed software that can be freely used by students and staff of the Science faculty can be found in the install network share. You can connect the install share in MS Windows using the path: \\install-srv.science.ru.nl\install Info ...