Category Archives: Software

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

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 .

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Intel compilers and maths libraries now free to use

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

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

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

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Olex2 now available for installation

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

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Intel compiler suite 2019 release 4 available

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

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MATLAB 2019.01 Parallel Server

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

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MOE 2019.01 now available

New capabilities include ensemble protein property calculations, MOEsaic session sharing, determination of conformer populations using NOE Data and AMBER thermodynamic integration. See and

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CSD System 2019 Release

Test blog entry here

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Blogs server upgrade

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

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Gaussian and Gaussview software

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

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