2020 Cambridge Structural Database System

New release for 2020 now available. Please refer to our page https://www.ch.cam.ac.uk/computing/software/cambridge-structural-database-system

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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 either an OS upgrade or to put suitable alternative arrangements in place.

If you’re still using Windows 7 on any computer connected to the Department network and don’t have a plan for what will happen after January 14th, please email support@ch.cam.ac.uk as soon as possible so we can try to help.

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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 to https://apps.ch.cam.ac.uk/wpkg and tick Olex2 from the list of packaged software.

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CCDC announces third data and software release of 2019


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MathWorks MATLAB 2019b available as ‘current’ package

Matlab 2019b is now available as the environment module package matlab/2019b
(see https://www.ch.cam.ac.uk/computing/software/environment-modules)
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Updated OpenVPN server

The Chemistry department has a VPN service providing remote access to our internal network. We’ve recently set up a second VPN server instance running a newer version of the VPN software with updated cryptography libraries and a great many bugfixes and enhancements. One significant improvement is that the VPN software will now do more checking that it’s connecting to the real Chemistry server and not a fake.

Anyone wanting to try out the new server can download updated VPN configuration files from our website. We’ll continue to run the old server while the older version of the software is supported.

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WebCSD – the on-line portal …

WebCSD provides easy and convenient access to the wealth of structural knowledge contained in the Cambridge Structural Database (CSD).
WebCSD can be accessed by going to: www.ccdc.cam.ac.uk/structures

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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 rm icc mkl # remove any old versions you had loaded
$ module add icc/64/2019/4/227
$ module add mkl/64/2019/0/4
$ icc --version
icc (ICC) 20190416
Copyright (C) 1985-2019 Intel Corporation.  All rights reserved.
$ ifort --version
ifort (IFORT) 20190416
Copyright (C) 1985-2019 Intel Corporation.  All rights reserved.

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Schrodinger Suite 2019-1

Available to contributing Groups on Windows & Linux.

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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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