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6 Jan 2021: Mek-quake Queueing system. From CUC3. Please write your thoughts about the mek-quake queueing system here. And please sign your posts! --Catherine 16:26, 21 June 2006 (BST). My thoughts are that what works best on most of the other clusters to keep

We also issue a waring reminding users they need to reconfigure if they have module loaded a new compiler. # ... To add a new ban, find the list for the appropriate compiler in CMakeLists.txt, then copy the above example, changing the condition and

6 Jan 2021: Note that Google Reader has a delay in updating the feeds, so you won't see new logs up to an hour after they are created and are visible with Firefox.

In short, a new parser is being developed by Kyle to allow the construction of a highly flexible move set. ... csw34> Temporary calls to new step taking routines for testing IF (NEWMOVEST) THEN!

6 Jan 2021: New code: make_T_AO_mono 1 6.58 Old code: make_T_AO_mono 1 65.06. This speed-up occurs for all systems I've looked at.

Eventually additions of new connections to the database will no longer reduce the rate constant.

6 Jan 2021: The ACML on tardis was already fixed (this is where I found the note) and I've done the new FFTW module on tardis (won't go live until I unleash

Sorting a file by multiple columns. From Docswiki. If you have a file you want to sort using multiple columns of numbers, the sort command is your new best friend!

Use the cmake option -DWITH_PYTHON. The goal of this interface is to allow for quick testing of new ideas before implementing them in Fortran.

6 Jan 2021: If you do module avail after loading the use.own module, you'll see there's a new section: /home/${USER}/privatemodules.

trunk) as follows:. svn copy url-old url-new. where, for example, url-old is $SVN/trunk and url-new is $SVN/branches/your-new-branch-name. ... 5 then new functionality exists to help you (see the SVN manual for more information).

6 Jan 2021: This is especially helpful when trying to reorder code for a cleaner flow, trying to remove issues leading to circular dependencies, or for becoming familiar with the structure of a new

OpenSSH (SSH client) DONE. Pan (news client) DONE. Pine (mail/news client) DONE. ... rasmol (molecular visualisation) DONE. TeX/LaTeX (document preparation system) DONE. Thunderbird (mail/news client) DONE.

6 Jan 2021: git checkout branchname' will allow you to swap branches, and 'git checkout -b newbranchname' will allow you to create a new branch. ... If you are in the middle of something, then want to work on something else, you can either create a new branch, or

24663 0.00000 0.00000 0.00000 ---------- --------- --------- --------- --------- --------- CHARMM> $$$$$$ New timer profile $$$$$ List time 0.00959 Other: 0.00000 Electrostatic & VDW 0.00004 Other: 0.00000 Nonbond force 0.01572

6 Jan 2021: NECI-testcode. From CUC3. This is a new page to post info on how to migrate the test code between machines, as was done between discovery and scepter recently. ... Note that new benchmarks need to be produced if the number of cores changes as certain

Mek-quake Queueing system. From Docswiki. Please write your thoughts about the mek-quake queueing system here. And please sign your posts! --Catherine 16:26, 21 June 2006 (BST). My thoughts are that what works best on most of the other clusters to

6 Jan 2021: which adds /local/lib/python/site-packages to my PYTHONPATH (if the directory exists). This means I no longer have to worry about adding a new module to my PYTHONPATH.

However, when you have the path.info file(s) from OPTIM you may not want to use them to start a new database -- instead, you can add them (one at a ... Systematically increasing the number of connections per minimum. Starting from an existing KTN, with

6 Jan 2021: In order to do so, new OPTIM keywords, DEBUG, DUMPNEBEOS, and DUMPNEBXYZ need to be added to print the NEB interpolated energy and coordinates in the files neb.xyz.31267.<n>,

Checkout the new repository and start writing the paper in the blank directory. ... else. All development should occur on branches. To create a new branch, run.

pressing Shifto opens a new window with several options along with the corresponding letter that needs to be pressed to sort the top window based on a particular column.

6 Jan 2021: Sets of defaults that can be called via a date. New memory book-keeping scheme in place. ... Currently the old routines just call the new ones with some of the options set to a default value.

3. Introduce new subroutines GENRIGID_IMAGE_CTORIGID and GENRIGID_IMAGE_RIGIDTOC in genrigid.f90. 4. Edit newneb.f90 - after initial interpolation, we do coordinate transformation to local rigid body.

For an example that is working look at newtip.f90. If you need to add a new potential, here are the steps you need to do:. ... See INERTIANTIP in newtip.f90 as an example. Edit subroutine COMPUTEINERTIA to add the call to your new inertia routine.

If you add a new page to this wiki, please provide a link to it in the Comprehensive Contents Page under the section you think most appropriate. ... Can be very useful for visualizing your system and for rapidly implementing and testing new ideas.

which adds /local/lib/python/site-packages to my PYTHONPATH (if the directory exists). This means I no longer have to worry about adding a new module to my PYTHONPATH.