Category Archives: Software

Successor to PGI Compiler Suite now available: NVIDIA SDK HPC compilers

Posted on April 21, 2021 by Catherine E. Pitt

The NVIDIA SDK HPC compilers are now available on managed Linux workstations and newer compute clusters. These include C, C++, and Fortran compilers. They are a rebrand of the Portland Compiler Suite. Our documentation can be found at https://www.ch.cam.ac.uk/computing/software/nvidia-hpc-sdk-compilers .

Posted in Linux, Software, Uncategorized | Comments Off on Successor to PGI Compiler Suite now available: NVIDIA SDK HPC compilers

Intel compilers and maths libraries now free to use

Posted on April 19, 2021 by Catherine E. Pitt

For many years the department has had a licence for Intel’s optimizing compilers and maths libraries which is paid for by several research groups. Updated versions of the Intel compilers and libraries are now going to be released as part … Continue reading →

Posted in Linux, Software | Comments Off on Intel compilers and maths libraries now free to use

Windows 7: end-of-life on January 14th

Posted on January 7, 2020 by Adam Thorn

After January 14th, Windows 7 will no longer receive security updates from Microsoft. We will thus be blocking general network access for Windows 7 computers after the 14th. Users of departmentally-managed Windows 7 computers have already been contacted to arrange … Continue reading →

Posted in security, Software | Comments Off on Windows 7: end-of-life on January 14th

Olex2 now available for installation

Posted on November 15, 2019 by Adam Thorn

The Olex2 software which lets you solve, refine and finish small-molecule crystal structures is now availble for installation on our managed Windows workstations. To select it for installation on a managed computer for which you are the registered user, go … Continue reading →

Posted in Software, Uncategorized | Leave a comment

Intel compiler suite 2019 release 4 available

Posted on May 9, 2019 by Catherine E. Pitt

We’ve just installed release 4 of the Intel 2019 compiler suite on the managed Linux workstations. It will be rolling out to the compute clusters over the next couple of days. To use it, load the appropriate module: $ module … Continue reading →

Posted in Clusters, Linux, Software | Leave a comment

MATLAB 2019.01 Parallel Server

Posted on April 2, 2019 by oj100

Introducing a New Release: MATLAB Parallel Server Jos Martin, Senior Engineering Manager, Parallel Computing Products at MathWorks Thursday 4th April – 14:00-15:30 hrs Judge Business School, Lecture Theatre 4 More Info. & Booking on Training website

Posted in Linux, Software, technical | Comments Off on MATLAB 2019.01 Parallel Server

MOE 2019.01 now available

Posted on March 29, 2019 by oj100

New capabilities include ensemble protein property calculations, MOEsaic session sharing, determination of conformer populations using NOE Data and AMBER thermodynamic integration. See https://www.ch.cam.ac.uk/computing/software/moe and https://www.chemcomp.com/index.htm#latestrelease

Posted in Linux, Software | Tagged , , , , | Leave a comment

CSD System 2019 Release

Posted on March 7, 2019 by oj100

Test blog entry here

Posted in Linux, Software | Tagged , , | Leave a comment

Blogs server upgrade

Posted on July 5, 2018 by Catherine E. Pitt

We’re finishing off migrating the vast majority of our infrastructure servers from Debian to Ubuntu, and the blogs server is one of the many things that has had to be replaced. This post is to test the new blogs virtual … Continue reading →

Posted in Software | Leave a comment

Gaussian and Gaussview software

Posted on September 21, 2016 by Catherine E. Pitt

Gaussview 5 for Mac and Linux is now freely available to researchers in Chemistry as the graduate education office and computer office have bought a site licence for these packages. Gaussview can be used on its own, but is more … Continue reading →

Posted in Linux, Mac, Software | Comments Off on Gaussian and Gaussview software