asyncmd.config

asyncmd.config#

This module contains the implementation of functions configuring asyncmd resource usage.

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

Functions

deregister_h5py_cache(h5py_group)

Deregister a given h5py_group from use as a cache for trajectory function values.

register_h5py_cache(h5py_group[, copy_h5py, ...])

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.