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.

RESTART, $r_1,r_2,r_3,r_4,\ldots$;

The $r_i$ specify which files are restarted. These files must have been allocated before using FILE cards. There are two possible formats for the $r_i$:

a) $0 < r_i < 10$:
Restart file $r_i$ and restore all information.
b) $r_i=name.nr$:
Restart file $nr$ but truncate before record name.
If all $r_i=0$, then all permanent files are restarted. However, if at least one $r_i$ is not equal to zero, only the specified files are restarted.


will restart all permanent files allocated with FILE cards (default)
will restart file 1 only
will restart file 2 only
will restart files 1-3
will restart file 1 and truncate before record 2000.
molpro@molpro.net 2018-09-21