TURBOMOLE Users Forum

TURBOMOLE Modules => Aoforce and Numforce => Topic started by: evgeniy on September 05, 2011, 07:11:03 PM

Title: Restart Numforce (a bit complicated case)
Post by: evgeniy on September 05, 2011, 07:11:03 PM
Dear Developers and Users of TM,

I have a numforce job which is half complete, some single point
gradient runs crashed. When I now restart it in parallel it finds
the first incomplete task (single point gradient run) and it tries
to finish it. But it does not check for the other incomplete
tasks. As a result only one task is running  regardless the option
to use many CPUs (to run several tasks  simultaneously).
Can this problem be overcome? I mean to restart it (in my
case) such that it restarts several task, as many as the
CPU number. Thanks!

Evgeniy