Application ontology describing needed concepts for remote computations with ExecFlow using AiiDA. Computation is released under a Creative Commons license Attribution 4.0 International (CC BY 4.0).
OpenModel Computation Application Ontology
MPIProcessorsPerNode
Number of processors that can be used by MPI on a compute node.
ExecutablePath
Path to an executable program.
A command to a Message Passing Interface (MPI) system.
MPICommand
PreCommand
Command to be executed before another command.
A pre-command typically used to prepares the execution of another command.
Scheduler
A software application that implements a batch system on a HPC cluster.
The goals of scheduler are: - minimize the time to perform computations - optimize CPU utilization - maximize the computation throughput
Transport
Command performed on a local or remote machine where a calculation is submitted.
Wrapper
A wrapper is a program or code that encapsulates and hides the underlying complexity of another program or code by means of a well-defined interface.
Scheme
A specification for interact with digital resources.
https, http, ftp, file, mailto, data, irc
All URIs starts with a scheme, specifying how to interact with the resource specified by the URI. The scheme refers often to the protocol that can be used to access the resource, but that is not always the case. For example refer the 'http' scheme to the HTTP protocol, while the 'file' scheme has no protocol.
SoftwarePlugin
A software component that adds a specific feature to an existing computer program.
HostName
A domain name assigned to a host computer. This is usually a combination of the host's local name with its parent domain's name.
Credential
The properties of a process that is used for determining its access rights.
Password
PostCommand
Command to be executed after another command.
A post-command typically used to post-process the results after another command.
UserName
A unique sequence of characters used to identify a user and allow access to a computer system, computer network, or online account.
A user is typically a human that can log into a computer system and provide commands. However users are not limited to humans. A user can for example also be a scheduled (cron) job performing a pre-defined command.
User
Agent that executes commands on a computer system.
WorkDirectory
Path to a local directory where the computation will be performed.
Computer
Electronic device that processes data, typically in binary form, according to instructions given to it in a variable program.
API
ApplicationProgrammingInterface
A well-defined way (interface) for two or more computer programs to communicate with each other.
A Unix shell and command language.
Bash
MPI
MessagePassingInterface
A standardized and portable message-passing standard designed to function on parallel computing architectures.