User contributions for Adk44

14 May 2019

• 15:3015:30, 14 May 2019 diff hist −4‎ Connecting Sub-databases ‎ →‎Step 1: Using disconnectionDPS to determine the breakdown of sub-databases within your database
• 15:3015:30, 14 May 2019 diff hist +181‎ Connecting Sub-databases ‎No edit summary
• 15:2815:28, 14 May 2019 diff hist +4‎ Connecting Sub-databases ‎No edit summary
• 15:2815:28, 14 May 2019 diff hist +103‎ Connecting Sub-databases ‎No edit summary
• 15:2715:27, 14 May 2019 diff hist +2,050‎ N Connecting Sub-databases ‎ Created page with "== Definitions == For the purposes of this tutorial, I am defining sub-databases to be sets of connected minima and transition states within a larger database. == Context a..."
• 15:1315:13, 14 May 2019 diff hist +31‎ Comprehensive Contents Page ‎ →‎PATHSAMPLE
• 15:0915:09, 14 May 2019 diff hist −201‎ Comprehensive Contents Page ‎ →‎Miscellaneous
• 10:3310:33, 14 May 2019 diff hist +1,236‎ PATHSAMPLE ‎No edit summary current
• 10:3310:33, 14 May 2019 diff hist −1,236‎ PATHSAMPLE ‎ Blanked the page Tag: Blanking
• 10:2310:23, 14 May 2019 diff hist +1,236‎ PATHSAMPLE ‎No edit summary
• 10:2310:23, 14 May 2019 diff hist −1,236‎ PATHSAMPLE ‎ Blanked the page Tag: Blanking
• 09:2709:27, 14 May 2019 diff hist −3‎ Main Page ‎No edit summary
• 09:2609:26, 14 May 2019 diff hist −1‎ Main Page ‎No edit summary
• 09:2609:26, 14 May 2019 diff hist +4‎ Main Page ‎No edit summary
• 09:0509:05, 14 May 2019 diff hist −55‎ Main Page ‎No edit summary
• 09:0409:04, 14 May 2019 diff hist +55‎ Main Page ‎No edit summary
• 08:5808:58, 14 May 2019 diff hist −55‎ Main Page ‎No edit summary
• 08:5708:57, 14 May 2019 diff hist +55‎ Main Page ‎No edit summary

13 May 2019

• 14:3714:37, 13 May 2019 diff hist +169‎ Main Page ‎ →‎Group Members Only
• 13:0613:06, 13 May 2019 diff hist 0‎ N File:Hbond group4vs6.png ‎No edit summary current
• 13:0513:05, 13 May 2019 diff hist 0‎ N File:Group compare.png ‎No edit summary current
• 13:0513:05, 13 May 2019 diff hist 0‎ N File:Hbond group6.png ‎No edit summary current
• 13:0413:04, 13 May 2019 diff hist 0‎ N File:Naotvside18.png ‎No edit summary current
• 13:0313:03, 13 May 2019 diff hist 0‎ N File:Naotvtop18.png ‎No edit summary current
• 13:0213:02, 13 May 2019 diff hist 0‎ N File:Tzwithoutgr.png ‎No edit summary current
• 13:0113:01, 13 May 2019 diff hist 0‎ N File:Tzwithgr.png ‎No edit summary current
• 13:0013:00, 13 May 2019 diff hist 0‎ N File:Chriscleanroom1.jpg ‎No edit summary current
• 12:5812:58, 13 May 2019 diff hist +1,762‎ N Victor Ruehle ‎ Created page with "Here is a collection of wiki pages I find usefule or am working on: == General == * Mercurial * Wales Group Fortran conventions for group software == Crystal struc..." current
• 12:5712:57, 13 May 2019 diff hist 0‎ N File:Km591 twz3.jpg ‎No edit summary current
• 12:5612:56, 13 May 2019 diff hist 0‎ N File:Km591 twz1.png ‎No edit summary current
• 12:5612:56, 13 May 2019 diff hist 0‎ N File:Km591 twz2.jpg ‎No edit summary current
• 12:5412:54, 13 May 2019 diff hist +2,539‎ N User:Ab2111 ‎ Created page with "== Current projects == === Torsional movesets for biomolecules: Biased Gaussian Sampling === Favrin et. al have developed a movecass for MC simulations of biomolecules: [htt..." current
• 12:5312:53, 13 May 2019 diff hist −2‎ Main Page ‎ →‎Comprehensive Contents Page
• 12:5312:53, 13 May 2019 diff hist −2‎ Main Page ‎ →‎Group Members Only
• 12:5212:52, 13 May 2019 diff hist +230‎ N SuSE 11.1 ‎ Created page with "== Notes on SuSE 11.1 for workstations == === compilers === * pgi - even 8.0 only supports suse 10.3 (and sles 11 which is based on opensuse 11.1) * intel * pathscale - sles..." current
• 12:5212:52, 13 May 2019 diff hist +5,291‎ N SuSE 10.3 workstation image ‎ Created page with "It is time to produce a spec for the next generation of the workstation image. This is to be based on SuSE 10.3 as 11.0 is too new for compiler support. We also considered Ubu..." current
• 12:5112:51, 13 May 2019 diff hist +2,396‎ N SuSE 10.2 workstation image ‎ Created page with "The SuSE 10.1 workstation image is rolled out and working; it's time to start worrying about 10.2 == Improvements in 10.2 == * LDAP support: your password will be your L..." current
• 12:5012:50, 13 May 2019 diff hist +3,466‎ N SuSE 10.1 workstation image ‎ Created page with "We need a new workstation image as SuSE 9.3 won't be supported for very much longer (ends Easter 2007). In order that I don't have to do this this again in six months I'm goin..." current
• 12:5012:50, 13 May 2019 diff hist +1,451‎ N Upgrading sword ‎ Created page with "This happened, so I leave this page here only for reference. Sword needs an upgrade. I'd like to move it to SuSE 9.3. The destiny upgrade went OK, whic..." current
• 12:5012:50, 13 May 2019 diff hist +898‎ N Upgrading destiny ‎ Created page with "Destiny is to be upgraded to SuSE and at the same time have a new disk installed to give a bigger /scratch and /usr/local. I will be withdrawing CRYSTAL98 and Portland versio..." current
• 12:4912:49, 13 May 2019 diff hist +4,126‎ N Blacklisting Compilers ‎ Created page with "Some compiler versions just don't work with our code. This might be due to a bug in the compiler, or maybe the compiler version is too old and doesn't include the features we..." current
• 12:4912:49, 13 May 2019 diff hist +7,696‎ N Compiler Flags ‎ Created page with "This page serves as documentation for the mysterious compiler flags: please keep it up to date. It includes a description of what each flag does and a list of flags in use for..." current
• 12:4812:48, 13 May 2019 diff hist −29‎ Comprehensive Contents Page ‎ →‎Miscellaneous/uncategorised
• 12:4812:48, 13 May 2019 diff hist −1,512‎ Comprehensive Contents Page ‎ →‎Group practice
• 12:4612:46, 13 May 2019 diff hist +2,417‎ N Uploading non image files to the wiki ‎ Created page with "For security reasons, the 'Upload file' functionality of the wiki only lets you upload images with .png, .gif, .jpg and .jpeg extensions. This can be a bit of a pain when you..." current
• 12:4612:46, 13 May 2019 diff hist +2,086‎ N Printing files from the command line using 'lpr' ‎ Created page with "You cannot print files directly from one of the clusters so the first thing you need to do is transfer the file to your workstation. This can be done using the ''scp'' command..." current
• 12:4612:46, 13 May 2019 diff hist +436‎ N Finding bugs in latex documents that will not compile ‎ Created page with "When you try to compile a latex document that contains an error - the compilation will halt with an (often cryptic) error message and a '''?''' prompt. At this point, you can..." current
• 12:4512:45, 13 May 2019 diff hist +77‎ N Running programs in the background ‎ Created page with "To run a job in the background, type & after your command, i.e. [command] &" current
• 12:4512:45, 13 May 2019 diff hist +320‎ N Installing packages on your managed CUC3 workstation ‎ Created page with "Although we don't have access to apt-get, or the package management application in Ubuntu, it appears you are able to access the 'aptitude' package manager still using sudo: <..." current
• 12:4412:44, 13 May 2019 diff hist +5,661‎ N A guide to using SLURM to run GPU jobs on pat ‎ Created page with "We now have a queueing system set up for use with some of our GPU machines. The head node is pat.ch.private.cam.ac.uk and all jobs should be submitted to the queue from there...." current