CYANA script: cyanajob

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.

See also

• cyana