TABLE OF CONTENTS
::pwtk::LL
PURPOSE
The master command for the LL (Load-Leveler) batch queuing. It manages the submission to LL.
USAGE
LL { ...script code... } LL file.pwtk or LL options { ...script code... } LL options file.pwtk or LL profile ?options? { ...script code... } LL profile ?options? file.pwtk
DESCRIPTION
The above "profile" is a user defined profile for LL, i.e., a set of "# @" directives, whereas the above "options" are the LL options (i.e. keyword values pairs), specified with the standard Tcl syntax of "-option value", i.e.:
LL -total_tasks 16 -node 2 { import job.pwtk } (N.B. ...script code... version)
or
LL -total_tasks 16 -node 2 job.pwtk (N.B. file.pwtk version)
If "profile" is omitted, the "default" profile is used, which is guaranteed to exist because it is defined in the $PWTK/config/ll.tcl file.
Here is an example of two user defined profiles, named "parallel" and "long":
ll_profile parallel { #!/bin/sh # @ job_type = parallel # @ wall_clock_limit = 6:00:00 # @ node = 1 # @ total_tasks = 8 # @ queue }
ll_profile longpar { #!/bin/sh # @ job_type = parallel # @ wall_clock_limit = 24:00:00 # @ node = 1 # @ total_tasks = 64 # @ queue }
The 'longpar' profile is then requested within the PWTK script as:
LL longpar { load_fromPWI scf.in CONTROL { calculation = 'relax' } IONS {} runPW relax.in }
which submits the script contained within the LL { ... } command to the LL queuing system with the specifics defined by the 'longpar' profile.
IMPORTANT
A typical place where to store LL profiles for frequent use is in the ~/.pwtk/ll.tcl configuration file (N.B. in the ~/.pwtk/ll.tcl configuration file, the prefix 'll_' can be omitted).