[CP2K:2644] How to continue restarting twice or more?

Laino Teodoro teodor... at gmail.com
Sat Mar 27 23:24:56 UTC 2010


Who told you to delete the SUBSYS section?
Did you find this written somewhere?


On 27 Mar 2010, at 21:32, Zhigang wrote:

> Hi, everyone, I don't know if anyone has met with the same problem
> since I got no relevant information when I have a rough search on the
> previous messages. Here is the problem:
> (1) Firstly I carried out an entirely new run, and got the file
> run1.restart;
> (2) then I modified the input file with the following lines (and
> deleted the FORCE_EVAL%SUBSYS section):
>            &EXT_RESTART
>                 RESTART_FILE_NAME run1.restart
>                 RESTART_POS
>                 RESTART_VEL
>                 RESTART_CELL
>                 RESTART_COUNTERS FALSE
>                 RESTART_AVERAGES FALSE
>            &END EXT_RESTART
> After the this run, I got the run2.restart;
> (3) And I continued to carry out the third run with run2.restart, but
> failed because coordinates and velocities are missing in run2.restart.
> Is there any additional switch to turn on the coordinates and
> velocities writing in restart file when I restart from the previous
> run? Or is this a minor flaw for CP2K with unexpected operations?
> Thanks in advance!
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