...

Execution modes

User code can be run in mode:

• Sequential
• Parallel:
  • MPI
    • MPICH
    • OpenMPI
  • and/or OpenMP

...

def actor_name(code_args = None, xml_parameters = None, job_settings = None):
	return None.  

# no returned values!

Assumptions:

General:

• Python version 3.6+
• Programming conventions (PEP 8?)
  • https://www.python.org/dev/peps/pep-0008/
• NO BACKWARD COMPATIBILITY  - Incompatibility with existing Python actors!
• All input arguments (user method arg and info determining how to launch job ) 'structured' within classes
• Classes will be defined for:
  • user code arguments - autogenerated
  • XML input parameters
  • job settings
• The order of arguments  will be arbitrary - implemented as arguments list (*args) or keyword arguments list (**kwargs)
• All arguments will be optional. If object of given class will be not provided - default values will be used.

...

Arguments required by user C++/F method

• All arguments 'packed' within a class <ActorName>Arguments
• Class will be automatically generated, and copied to a wrapper package
• Order of attributes corresponds to order of  user function arguments
• Every attribute is a class ToolNameArgument <ToolName>Argument keeping not only value but also metadata describing argument:
  • Name
  • Type of value
  • Value
  • IN or OUT
• Attributes' setters/getters will be overridden - user will set only value of argument 
  • To reduce complexity visible by user
  • To check if arg type is correct

class ToolNameArgument# AUTO GENERATED !
class <ActorName>Arguments : 
  def __init__(self):
    self.arg1 = <ToolName>Argument( 'InVar', int, None, IN)
    self.arg2 = <ToolName>Argument( 'OutVar', double, None, OUT)
    self.diagnostic_info = <ToolName>DiagnosticInfo()

# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
class <ToolName>Argument :
  def __init__(self, name, type, sub_type, intent):
    self.name =  name #'argument name' READ ONLY
	self.type = type # (INT, DOUBLE, STRING, COMPLEX, IDS) READ ONLY
	self.sub_type = sub_type  #'equilibrium'  for IDSes only READ ONLY
	self.intent = intent # (IN/OUT) READ ONLY
	self.value  = 7. # to be set by user
    
# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
class ToolNameDiagnosticInfo<ToolName>DiagnosticInfo :
  def __init__(self):
    self.status  
	self.message

# AUTO GENERATED !
class <ActorName>Arguments

XML parameters of user  C++/F method

• Not passed as wrapper argument
• Defined (path to XML file) at the time of actor creation by <ToolName>  

class <ToolName>XMLParamaters :  
  def __init__(self):
    self.arg1parameters = ToolNameArgument( 'InVar', int, None, IN # file name or string or... (?)
    self.arg2default_parameters = ToolNameArgument( 'OutVar', double, None, OUT)

XML parameters of user  C++/F method

• Not passed as wrapper argument
• Defined (path to XML file) at the time of actor creation by ToolName  

Job settings

• A class passed as wrapper arguments
• Tree (of classes) describing job settings
• ToolNameJobSettings class:
  
  • batch_job - class ToolNameBatchJob:
    • queue
    • ???
  • debug - class ToolNameDebug
    • debugger - TotalView/gdb
    • mode - attach/standalone
  • mpi - class ToolNameMPI
    • mpi parameters - TBD
    • ???
  • open_mp - class ToolNameOpenMP
    • openMP parameters - TBD
    • ???
  • sandbox
    • path to sandbox
    • sandbox 'lifetime'

Wrapper outcome

 # file name or string or ... (?)
	self.schema = # file name or string or ... (?)

Job settings

class <ToolName>JobSettings : 
  def __init__(self):
    self.batch_job = <ToolName>BatchJob()
    self.debug = <ToolName>Debug()
    self.mpi = <ToolName>MPI()
	self.open_mp = <ToolName>OpenMP()
	self.sandbox = <ToolName>Sandbox()
	self.?????  #any other info needed?

# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
class <ToolName>BatchJob :
  def __init__(self):
	self.queue = 
	self.TBD

# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
class <ToolName>Debug :
  def __init__(self):
	self.debugger #TotalView/gdb
	self.mode     #attach/standalone
	self.TBD

# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
class <ToolName>MPI :
  def __init__(self):
	self.TBD
	self.debug_switch

# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
class <ToolName>OpenMP :
  def __init__(self):
	self.TBD

# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
class <ToolName>Sandbox :
  def __init__(self):
	self.path
	self.lifetime
	self.TBD

Wrapper outcome

• To be discussed - PREFERRED:  OUT arguments - wrapper will update fields of <ActorName>Arguments class
• Returned values - packed within a class:
  • autogenerated
  • a part of wrapper package

Open points

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1. https://www.python.org/dev/peps/pep-0008/

Example

from my_test.wrapper import my_test_actor

# # # # # JOB SETTINGS # # # # # # # 
job_settings = <ToolName>JobSettings()
 
#batch job
job_settings.batch_job.queue = 'gw_default"
#debugging
# no debugging for batch jobs
#mpi
job_settings.mpi.nodes = 5
#OpenMP
# it is not OpenMP job
# Sandbox
job_settings.sandbox.lifetime = LIFTIME_WORKFLOW
job_settings.sandbox.clean_up = True

# # # # # CODE ARGUMENTS # # # # # # # 
arguments = <ActorName>Arguments()  

self.my_in_arg_01.value = 5
self.my_in_arg_02.value = 0.123
self.my_in_core_profiles_01.value = in_cp_obj
self.my_in_core_profiles_02.value = in_cp_metadata #object keeping shot/run/user

# # # # # RUNNING ACTOR # # # # # # # 
my_test(code_args = arguments, job_settings = job_settings)

# # # # # RETURN # # # # # # # 
ret_eq = arguments.my_out_equilibrium_02.value

Open points

...

1. Only IN and OUT arguments (no INOUT arguments)
2. Arrays as an inout of user method- only "dynamic" - i.e. of variable size 
3. Wrapper results:
   1. OUT arguments - wrapper will update fields of <ActorName>Arguments classReturned
   2. values - packed within a classINCOMPATIBILITY 
4. Diagnostic info 
   1. Info returned from user method
      1. status flag
      2. user defined message
   2. 'Q: can it be mandatory in user sbrt?
5.  Sandbox:
   1. Do we need this feature?
6. Alternative library:
   1. Do we need this feature?

...