User contributions for 10.0.7.24

12 May 2010

• 13:5013:50, 12 May 2010 diff hist +315 Script-vasp-tekla No edit summary
• 13:4813:48, 12 May 2010 diff hist +18 Run-vasp-tekla.s No edit summary
• 13:4713:47, 12 May 2010 diff hist 0 Run-vasp-tekla.s No edit summary
• 13:4713:47, 12 May 2010 diff hist −3 Run-vasp-tekla.s No edit summary
• 13:4613:46, 12 May 2010 diff hist +59 Run-vasp-tekla.s No edit summary
• 13:4613:46, 12 May 2010 diff hist +8 Run-vasp-tekla.s No edit summary
• 13:4513:45, 12 May 2010 diff hist −404 Script-vasp-tekla Removing all content from page
• 13:4213:42, 12 May 2010 diff hist +159 N Run-vasp-tekla.s New page: #!/bin/bash #$ -N NAME # # pe request #$ -pe q0 8 cd WORK DIRECTORY /usr/bin/mpirun -np 8 -machinefile $TMPDIR/machines /usr/local/bin/vasp rm CHG* WAVE*
• 13:4113:41, 12 May 2010 diff hist +196 Useful scripts No edit summary
• 13:3313:33, 12 May 2010 diff hist +39 Script-vasp-tekla No edit summary
• 13:3213:32, 12 May 2010 diff hist +1 VASP-Current No edit summary
• 13:3013:30, 12 May 2010 diff hist +188 VASP-Current No edit summary
• 13:2813:28, 12 May 2010 diff hist +243 Tekla No edit summary

13 July 2009

• 16:2716:27, 13 July 2009 diff hist +1 Xyz poscar.pl No edit summary
• 16:2516:25, 13 July 2009 diff hist +2,709 N Xyz poscar.pl New page: #!/usr/bin/perl -w ###############Edit this############### $title = "Single points"; $ncell = 25.832; ####################################### ###Parameters inicialization $i = $j = $k...
• 16:2516:25, 13 July 2009 diff hist 0 Useful scripts No edit summary
• 16:2416:24, 13 July 2009 diff hist +91 Useful scripts No edit summary

12 March 2008

• 12:4712:47, 12 March 2008 diff hist +4 Núria López and Group No edit summary

11 March 2008

• 14:4014:40, 11 March 2008 diff hist +28 Núria López and Group No edit summary

15 February 2008

• 16:0816:08, 15 February 2008 diff hist +68 Núria López and Group No edit summary

12 February 2008

• 14:4814:48, 12 February 2008 diff hist −4 Núria López and Group No edit summary
• 14:4814:48, 12 February 2008 diff hist −86 Núria López and Group No edit summary

4 February 2008

• 15:4615:46, 4 February 2008 diff hist +22 Núria López and Group No edit summary
• 15:4515:45, 4 February 2008 diff hist +326 Núria López and Group No edit summary
• 15:3615:36, 4 February 2008 diff hist +300 Núria López and Group No edit summary

31 January 2008

• 14:5714:57, 31 January 2008 diff hist −50 Tekla No edit summary
• 14:4614:46, 31 January 2008 diff hist +72 Núria López and Group No edit summary
• 14:2914:29, 31 January 2008 diff hist +86 Núria López and Group No edit summary
• 14:2714:27, 31 January 2008 diff hist +274 Núria López and Group No edit summary
• 14:1914:19, 31 January 2008 diff hist +75 Núria López and Group No edit summary

29 January 2008

• 16:4116:41, 29 January 2008 diff hist +3 Núria López and Group No edit summary
• 16:4116:41, 29 January 2008 diff hist +91 Núria López and Group No edit summary

20 December 2007

• 15:4315:43, 20 December 2007 diff hist +3 Tekla No edit summary

18 December 2007

• 12:3412:34, 18 December 2007 diff hist +19 Tekla No edit summary
• 12:3312:33, 18 December 2007 diff hist +91 Tekla No edit summary

27 August 2007

• 15:0515:05, 27 August 2007 diff hist +4 Terminal Server No edit summary

2 August 2007

• 11:3211:32, 2 August 2007 diff hist +2 Useful scripts No edit summary
• 10:5710:57, 2 August 2007 diff hist −1 Useful scripts No edit summary

1 August 2007

• 11:2811:28, 1 August 2007 diff hist +52 VASP No edit summary
• 11:2711:27, 1 August 2007 diff hist +365 N Useful scripts New page: How to calculate the cell parameters: loop.s How to start a database (setup and submitt commands): setandsubmit.s How to remove a set of files from the queue: cancel.s Ho...
• 11:2711:27, 1 August 2007 diff hist −5 Marenostrum No edit summary
• 11:2211:22, 1 August 2007 diff hist +23 Marenostrum No edit summary

20 July 2007

• 13:5413:54, 20 July 2007 diff hist +217 VMD No edit summary
• 13:5113:51, 20 July 2007 diff hist +309 Cesca No edit summary

13 July 2007

• 11:5011:50, 13 July 2007 diff hist +2 VMD No edit summary
• 11:0711:07, 13 July 2007 diff hist +103 Cesca No edit summary
• 11:0511:05, 13 July 2007 diff hist +286 VMD No edit summary
• 11:0011:00, 13 July 2007 diff hist +163 N P024 New page: Nuria's fixed computer: Installed programs: Star office VASP VMD xmakemol acroread dacapo For the versions check in current versions current
• 10:5810:58, 13 July 2007 diff hist +140 VMD No edit summary

31 May 2007

• 10:0510:05, 31 May 2007 diff hist +123 N Talk:Tekla New page: Tekla has right now 48 nodes t1-t48 There are 3 queues established with 16 nodes each. t1-t16: c1 t17-t32: c2 t33-t48: c3