TABLE OF CONTENTS
- generic-API
- ::pwtk::queue
- ::pwtk::queue::clear
- ::pwtk::queue::fprint
- ::pwtk::queue::get
- ::pwtk::queue::getBody
- ::pwtk::queue::getHead
- ::pwtk::queue::getScript
- ::pwtk::queue::getSpecs
- ::pwtk::queue::getTail
- ::pwtk::queue::getVar
- ::pwtk::queue::init
- ::pwtk::queue::print
- ::pwtk::queue::profile
- ::pwtk::queue::profileDefault
- ::pwtk::queue::QUEUE
- ::pwtk::queue::rerunNEB
- ::pwtk::queue::rerunPH
- ::pwtk::queue::rerunPW
- ::pwtk::queue::run
- ::pwtk::queue::runBANDS
- ::pwtk::queue::runDOS
- ::pwtk::queue::runDYNMAT
- ::pwtk::queue::runMOLECULARPDOS
- ::pwtk::queue::runMOPDOS
- ::pwtk::queue::runNEB
- ::pwtk::queue::runPH
- ::pwtk::queue::runPP
- ::pwtk::queue::runPROJWFC
- ::pwtk::queue::runPW
- ::pwtk::queue::setHead
- ::pwtk::queue::setSpecs
- ::pwtk::queue::setTail
- ::pwtk::queue::setVar
- ::pwtk::queue::submit
generic-API
NAME
DESCRIPTION
Namespace for generic support for batch queueing system(s). An implementation of handling of any particular batch queueing system will use the ::pwtk::queue API.
Any actual implementation of the specific queing systems should provide the follwoing three procs:
- init -- for initialization (see e.g. ::pwtk::slurm::init)
- submit -- to tell to PWTK how to submit jobs to particular queuing system (see e.g. ::pwtk::slurm::submit)
- parseOptions_ -- to tell to PWTK how to parse the queuing system options in the job script files (see e.g. ::pwtk::slurm::parseOptions_)
(Deprecated) Rigid-Mode
The PWTK's convention for the (deprecated) "rigid-mode" batch queuing scripts is the following. Each such script is composed of the following sections:
head (the batch-queuing specific instuctions, set by ::pwtk::queue::setHead proc) | specs (optional user-specified piece of script, set by ::pwtk::queue::setSpecs proc) | body (part of script where calculations are specified, it is set indirectly via ::pwtk::queue::run*** commands) | tail (optional user-specified piece of script, set by ::pwtk::queue::setTail proc)