How to continue restarting twice or more?

[Zhigang]

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
RESTART_KG_THERMOSTAT FALSE
RESTART_THERMOSTAT 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!

[Laino Teodoro]

Hallo,

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

Teo.

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[Zhigang]

Hi, Laino,
Thanks for the response.
So I think I've got the logic: the problem is the complete deletion
of SUBSYS section, and actually, a blank section with only &SUBSYS/
&END would generate coordinates and velocities in the restart file.
I've not noticed this last time, since I intuitively think the
SUBSYS section would be redundant if I define these to be retrieved
from the file defined in EXT_RESTART.
By the way, I think more words on this issue added in the manual or
relevant documents (such as tutorialCp2k.html) would be helpful for
the beginners of CP2K.

Zhigang

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[Laino Teodoro]

Hi Zhigang,

rather than adding more words into the input reference on the usage
of the EXT_RESTART section,
it is enough that you don't put too much imagination in the
construction of your input files.

If you find somewhere a single sentence about the redundancy you have
imagined please let us know and I
will personally remove it. Until then, the usage of the EXT_RESTART
section should be already pretty clear.
Nonetheless, if you think that the information on this topic should
be improved feel free to modify the pages here on the
google group.

Teo