WIEN2k

This section presents how to run WIEN2k by Job unifying system.

Prepare script_file before you do. There are examples of the command and script_file for different purposes.

You can use k-Point parallelization by using -p option in script_file and set up .machines file in the current work directory. (See sample)

It is omissible that -exec operand to name script_file COMMANDLINE.

Purposes		Command	Example of script_file
I want to run on the super computer.	Using only 1CPU in 3days.	`submit SB general -exec script_file`	run_lapw -cc 0.0001 -NI
	on a trial basis. Using 1node(16CPU) in 20 minutes is enough.	`submit EA general -exec script_file`	run_lapw -p -cc 0.0001 -NI
	Using 1node(16CPU) in 3days.	`submit EB general -exec script_file`	run_lapw -p -cc 0.0001 -NI
I want to run on the application server B.	Using 1CPU.	`submit bm -exec script_file`	#!/bin/csh setenv SCRATCH $PWD run_lapw -cc 0.0001 -NI
I want to run on the application server C.	Using 1CPU.	`submit cm -exec script_file`	#!/bin/csh run_lapw -cc 0.0001 -NI

4.5 WIEN2k