w_fork
usage:
w_fork [-h] [-r RCFILE] [--quiet | --verbose | --debug] [--version] [-i INPUT_H5FILE]
[-I N_ITER] [-o OUTPUT_H5FILE] [--istate-map ISTATE_MAP] [--no-headers]
Prepare a new weighted ensemble simulation from an existing one at a particular point. A new HDF5 file is generated. In the case of executable propagation, it is the user’s responsibility to prepare the new simulation directory appropriately, particularly making the old simulation’s restart data from the appropriate iteration available as the new simulations initial state data; a mapping of old simulation segment to new simulation initial states is created, both in the new HDF5 file and as a flat text file, to aid in this. Target states and basis states for the new simulation are taken from those in the original simulation.
optional arguments:
-h, --help show this help message and exit
-i INPUT_H5FILE, --input INPUT_H5FILE
Create simulation from the given INPUT_H5FILE (default: read from configuration
file.
-I N_ITER, --iteration N_ITER
Take initial distribution for new simulation from iteration N_ITER (default:
last complete iteration).
-o OUTPUT_H5FILE, --output OUTPUT_H5FILE
Save new simulation HDF5 file as OUTPUT (default: forked.h5).
--istate-map ISTATE_MAP
Write text file describing mapping of existing segments to new initial states
in ISTATE_MAP (default: istate_map.txt).
--no-headers Do not write header to ISTATE_MAP
general options:
-r RCFILE, --rcfile RCFILE
use RCFILE as the WEST run-time configuration file (default: west.cfg)
--quiet emit only essential information
--verbose emit extra information
--debug enable extra checks and emit copious information
--version show program's version number and exit