6.3 Restarting a job (RESTART)
In contrast to MOLPRO92 and older versions, the current version of
MOLPRO attempts to
recover all information from all permanent files by default. If a restart is
unwanted, the NEW option can be used on the FILE directive. The RESTART directive as described below can still be used as in MOLPRO92, but
is usually not needed.
The specify which files are restarted. These files must have been
allocated before using FILE cards.
There are two possible formats for the :
If all , then all permanent files are restarted. However, if at least one
is not equal to zero, only the specified files are restarted.
- a) :
- Restart file and restore all information.
- b) :
- Restart file but truncate before record name.
- will restart all permanent files allocated with FILE
- will restart file 1 only
- will restart file 2 only
- will restart files 1-3
- will restart file 1 and truncate before record 2000.