asyncmd.config

asyncmd.config#

This module contains the implementation of functions configuring asyncmd behavior.

It also import the configuration functions for submodules (like slurm) to make them accessible to users in one central place.

Functions

register_h5py_cache(h5py_group)

Register a h5py file or group for CV value caching.

set_max_files_open([num, margin])

Set the maximum number of concurrently opened files.

set_max_process([num, max_num])

Set the maximum number of concurrent python processes.

set_slurm_max_jobs(num)

Set the maximum number of simultaneously submitted SLURM jobs.

set_trajectory_cache_type(cache_type[, ...])

Set the cache type for TrajectoryFunctionWrapper values.

show_config()

Print/show current configuration.