rama.phy.mtu.edu http://rama.phy.mtu.edu/wordpress High Performance Linux Computing Platform Wed, 23 Dec 2009 04:13:41 +0000 http://wordpress.org/?v=2.9 en hourly 1 2009.12.22 http://rama.phy.mtu.edu/wordpress/?p=41 http://rama.phy.mtu.edu/wordpress/?p=41#comments Wed, 23 Dec 2009 04:12:51 +0000 Admin http://rama.phy.mtu.edu/wordpress/?p=41 vasp2xyz.sh – keep POSCAR & OUTCAR in same folder and run:

vasp2xyz.sh OUTPUT_FILENAME

Results in OUTPUT_FILENAME.xyz

]]> http://rama.phy.mtu.edu/wordpress/?feed=rss2&p=41 0 2009.12.10 http://rama.phy.mtu.edu/wordpress/?p=36 http://rama.phy.mtu.edu/wordpress/?p=36#comments Thu, 10 Dec 2009 17:54:51 +0000 Admin http://rama.phy.mtu.edu/wordpress/?p=36 qstat and qu are working as before.

qu [USERNAME]

prints jobs being run by [USERNAME].

]]> http://rama.phy.mtu.edu/wordpress/?feed=rss2&p=36 0 2009.12.08 http://rama.phy.mtu.edu/wordpress/?p=7 http://rama.phy.mtu.edu/wordpress/?p=7#comments Wed, 09 Dec 2009 02:39:41 +0000 Admin http://rama.phy.mtu.edu/wordpress/?p=7 SMEAGOL 1.0b [parallel version] recompiled and benchmarked. Please use getscript to generate batch submission script.

]]> http://rama.phy.mtu.edu/wordpress/?feed=rss2&p=7 0 2009.11.24 http://rama.phy.mtu.edu/wordpress/?p=12 http://rama.phy.mtu.edu/wordpress/?p=12#comments Tue, 24 Nov 2009 18:49:03 +0000 Admin http://rama.phy.mtu.edu/wordpress/?p=12 CRYSTAL 2009 [serial version] available for use. Please use getscript to generate batch submission script.

]]> http://rama.phy.mtu.edu/wordpress/?feed=rss2&p=12 0 2009.11.05 http://rama.phy.mtu.edu/wordpress/?p=18 http://rama.phy.mtu.edu/wordpress/?p=18#comments Thu, 05 Nov 2009 18:55:15 +0000 Admin http://rama.phy.mtu.edu/wordpress/?p=18 Gaussian 98/03 [serial] run-time issues have been resolved.

]]> http://rama.phy.mtu.edu/wordpress/?feed=rss2&p=18 0 2009.11.04 http://rama.phy.mtu.edu/wordpress/?p=15 http://rama.phy.mtu.edu/wordpress/?p=15#comments Wed, 04 Nov 2009 22:50:18 +0000 Admin http://rama.phy.mtu.edu/wordpress/?p=15 SGE will start sending appropriate email notifications for all jobs from now on.

]]> http://rama.phy.mtu.edu/wordpress/?feed=rss2&p=15 0 2009.11.04 http://rama.phy.mtu.edu/wordpress/?p=29 http://rama.phy.mtu.edu/wordpress/?p=29#comments Wed, 04 Nov 2009 19:48:46 +0000 Admin http://rama.phy.mtu.edu/wordpress/?p=29 VASP 5.2.2 [parallel] is available for use. Features include, amongst others, capability to carry out GW calculations.

]]> http://rama.phy.mtu.edu/wordpress/?feed=rss2&p=29 0 2009.11.03 http://rama.phy.mtu.edu/wordpress/?p=23 http://rama.phy.mtu.edu/wordpress/?p=23#comments Tue, 03 Nov 2009 15:01:16 +0000 Admin http://rama.phy.mtu.edu/wordpress/?p=23 3 new queues – q_0.q, q_1.q and q_2.q – have been created. Please check with Dr. Pandey as to which ones you can use. New command is as follows:



qsub -q q_[0|1|2].q job_name

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