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Updated: 1 hour 29 min ago

Updated OpenVPN server

Wed, 06/12/2019 - 08:45

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 We’ve recently set up a second VPN server instance running a newer version of the VPN software with updated cryptography libraries and a great many bugfixes and enhancements.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.

WebCSD – the on-line portal …

Tue, 06/11/2019 - 10:18

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

Intel compiler suite 2019 release 4 available

Thu, 05/09/2019 - 09:34

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) 19.0.4.227 20190416 Copyright (C) 1985-2019 Intel Corporation. All rights reserved. $ ifort --version ifort (IFORT) 19.0.4.227 20190416 Copyright (C) 1985-2019 Intel Corporation. All rights reserved.

Schrodinger Suite 2019-1

Tue, 05/07/2019 - 15:34

Available to contributing Groups on Windows & Linux.

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