User contributions for Sdonald

Results for Sdonald talk block log uploads logs

A user with 90 edits. Account created on 26 October 2007.

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12:3412:34, 12 March 2010 diff hist −883 Tmole.sub HowTo No edit summary
12:0712:07, 12 March 2010 diff hist +738 Tmole.sub HowTo →Basic Turbomole operation
12:0112:01, 12 March 2010 diff hist +31 Tmole.sub HowTo No edit summary
12:0012:00, 12 March 2010 diff hist +12 Tmole.sub HowTo →Basic Turbomole operation
12:0012:00, 12 March 2010 diff hist +1,404 N Tmole.sub HowTo New page: Go back to [http://aliga.iciq.es/wiki/index.php/TURBOMOLE TURBOMOLE] == Basic Turbomole operation == Turbomole runs using MPI, and so can be run in parallel over several nodes, depending...
11:4011:40, 12 March 2010 diff hist +70 Tmole.sub No edit summary
11:3811:38, 12 March 2010 diff hist +396 N Tmole.sub New page: #!/bin/bash #$ -cwd #$ -pe cq4m4_mpi 8 #$ -R y #$ -masterq cq4m4.q #Setup Turbomole environment export PARNODES=8 export PARA_ARCH=MPI export HOSTS_FILE=$TMPDIR/machines e...
11:3511:35, 12 March 2010 diff hist −58 TURBOMOLE →Sending jobs via the queue system
11:3211:32, 12 March 2010 diff hist +15 TURBOMOLE →Sending jobs via the queue system
11:2911:29, 12 March 2010 diff hist −12 TURBOMOLE →Sending jobs via the queue system
11:2911:29, 12 March 2010 diff hist +13 TURBOMOLE →Sending jobs via the queue system
11:2811:28, 12 March 2010 diff hist −20 TURBOMOLE →Defining environment variables and visualizing the output
11:2511:25, 12 March 2010 diff hist +532 TURBOMOLE No edit summary
11:1811:18, 12 March 2010 diff hist 0 TURBOMOLE →Sending and preparing input files
11:1711:17, 12 March 2010 diff hist +2 TURBOMOLE →Defining environment variables and visualizing the output
11:1711:17, 12 March 2010 diff hist +360 TURBOMOLE No edit summary

17:0517:05, 15 October 2009 diff hist −3 G03 →NMR parameters, the chemical shift
10:2210:22, 15 October 2009 diff hist +39 G09 →Scaling and New Functional Testing
10:2110:21, 15 October 2009 diff hist +164 G09 →Scaling and New Functional Testing

16:3416:34, 8 October 2009 diff hist 0 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling and New Functional Testing
16:3316:33, 8 October 2009 diff hist +6 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling and New Functional Testing
16:3316:33, 8 October 2009 diff hist −6 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling and New Functional Testing
16:3216:32, 8 October 2009 diff hist +7 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling and New Functional Testing
16:3016:30, 8 October 2009 diff hist +1 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling and New Functional Testing
16:3016:30, 8 October 2009 diff hist +62 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling and New Functional Testing
16:2716:27, 8 October 2009 diff hist +801 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling
11:5111:51, 8 October 2009 diff hist +1 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling
11:5111:51, 8 October 2009 diff hist +676 GAUSSIAN →Gaussian09 vs Gaussian03 Scaling
11:4111:41, 8 October 2009 diff hist +37 GAUSSIAN No edit summary

11:0811:08, 18 May 2009 diff hist +16 Cesca →Access

10:5010:50, 26 March 2009 diff hist −7 m Optimisation from transition state geometries →Introduction
10:5010:50, 26 March 2009 diff hist +71 m Optimisation from transition state geometries →Introduction

17:5717:57, 21 February 2008 diff hist +11 NWCHEM →Important notes
17:4917:49, 21 February 2008 diff hist +385 NWCHEM →Important notes
17:3517:35, 21 February 2008 diff hist +69 IAC →User details
17:3417:34, 21 February 2008 diff hist −5 IAC →User details

16:4416:44, 26 October 2007 diff hist +179 ECCE No edit summary
16:3516:35, 26 October 2007 diff hist +1 ECCE No edit summary
16:3516:35, 26 October 2007 diff hist −4 ECCE No edit summary
16:3216:32, 26 October 2007 diff hist +270 ECCE No edit summary
16:2016:20, 26 October 2007 diff hist +57 ECCE No edit summary
16:1316:13, 26 October 2007 diff hist +138 ECCE No edit summary
16:0816:08, 26 October 2007 diff hist −29 ECCE No edit summary
16:0716:07, 26 October 2007 diff hist +1 ECCE No edit summary
16:0616:06, 26 October 2007 diff hist +8 ECCE No edit summary
16:0616:06, 26 October 2007 diff hist +5 ECCE No edit summary

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