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Execution information

Every ProgramOutput has execution: ExecutionInfo, defaulting to an empty ExecutionInfo(). Individual fields may be unknown; explicit execution=None is invalid. Passing ExecutionInfo() or execution={} means output.execution.wall_time returns None without requiring a check for the execution object itself.

host_cpu counts logical CPUs; host_mem_gib accepts fractional values. The former hostcpus and hostmem names are no longer accepted.

wall_time is measured in seconds and host_mem_gib in GiB. host_cpu and host_mem_gib describe host capacity, not the resources allocated to the job. Each trajectory entry records its own execution information, including its working directory.

qcdata.ExecutionInfo

Runtime information about a program execution.

All fields may be unknown. Pass ExecutionInfo() when no details are available.

Attributes:

Name Type Description
scratch_dir Path | None

The working directory used by the program.

wall_time float | None

Elapsed execution time in seconds.

hostname str | None

The hostname of the machine where the program ran.

host_cpu int | None

The number of logical CPUs on the host, not the allocated CPU count.

host_mem_gib float | None

The host's total memory in GiB, not the allocated memory.

extras dict[str, Any]

Additional execution information.