psi4.driver.copy_file_to_scratch

psi4.driver.copy_file_to_scratch(filename, prefix, namespace, unit, move=False)

Function to move file into scratch with correct naming convention.

Arguments:

@arg filename full path to file @arg prefix computation prefix, usually ‘psi’ @arg namespace context namespace, usually molecule name @arg unit unit number, e.g. 32 @arg move copy or move? (default copy)

Example:

Assume PID is 12345 and SCRATCH is /scratch/parrish/

copy_file_to_scratch(‘temp’, ‘psi’, ‘h2o’, 32):

-cp ./temp /scratch/parrish/psi.12345.h2o.32

copy_file_to_scratch(‘/tmp/temp’, ‘psi’, ‘h2o’, 32):

-cp /tmp/temp /scratch/parrish/psi.12345.h2o.32

copy_file_to_scratch(‘/tmp/temp’, ‘psi’, ‘’, 32):

-cp /tmp/temp /scratch/parrish/psi.12345.32

copy_file_to_scratch(‘/tmp/temp’, ‘psi’, ‘’, 32, True):

-mv /tmp/temp /scratch/parrish/psi.12345.32