CYANA script: cyanajob: Difference between revisions
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Starts a parallel CYANA calculation using MPI. | Starts a parallel CYANA calculation using MPI. | ||
Starts CYANA to execute a ''macro'' as a batch or background job. The ''macro'' name can be given with or without the '.cya' extension. The '''cyanajob''' script is the preferred way to start a parallel CYANA calculation. For interactive use, CYANA is started through the [[CYANA | Starts CYANA to execute a ''macro'' as a batch or background job. The ''macro'' name can be given with or without the '.cya' extension. The '''cyanajob''' script is the preferred way to start a parallel CYANA calculation. For interactive use, CYANA is started through the [[CYANA script: cyana|'''cyana''']] script. The '''cyanajob''' script is machine-dependent and must be adapted to the particular application environment when the program CYANA is installed. Machine-dependent default values of the following options can be inspected by using the '-h' option: | ||
; | :;-h: help | ||
; | :;-a ''file'': start job only after ''file'' exists | ||
; | :;-j ''name'': job name (default: ''macro'') | ||
; | :;-n ''nproc'': number of processors | ||
; | :;-o ''options'': options for the CYANA program | ||
; | :;-p ''program'': name of the CYANA start script (default: '''cyana''') | ||
; | :;-q ''queue'': batch queue | ||
; | :;-s ''command'': submit command | ||
; | :;-S: run CYANA in safe (restricted) mode | ||
Frequently used options are '''-n''' to set the number of processors used in parallel, '''-p''' to specify the command by which CYANA is started (e.g. if different versions of the program are simultaneously installed on the system), and '''-q''' to choose a certain batch queue. | Frequently used options are '''-n''' to set the number of processors used in parallel, '''-p''' to specify the command by which CYANA is started (e.g. if different versions of the program are simultaneously installed on the system), and '''-q''' to choose a certain batch queue. | ||
Latest revision as of 14:18, 12 August 2009
Synopsis
cyanajob [option] macro parameters
Description
Starts a parallel CYANA calculation using MPI. Starts CYANA to execute a macro as a batch or background job. The macro name can be given with or without the '.cya' extension. The cyanajob script is the preferred way to start a parallel CYANA calculation. For interactive use, CYANA is started through the cyana script. The cyanajob script is machine-dependent and must be adapted to the particular application environment when the program CYANA is installed. Machine-dependent default values of the following options can be inspected by using the '-h' option:
- -h
- help
- -a file
- start job only after file exists
- -j name
- job name (default: macro)
- -n nproc
- number of processors
- -o options
- options for the CYANA program
- -p program
- name of the CYANA start script (default: cyana)
- -q queue
- batch queue
- -s command
- submit command
- -S
- run CYANA in safe (restricted) mode
Frequently used options are -n to set the number of processors used in parallel, -p to specify the command by which CYANA is started (e.g. if different versions of the program are simultaneously installed on the system), and -q to choose a certain batch queue.