How to continue restarting twice or more?
cn.zg... at gmail.com
Sat Mar 27 20:32:14 UTC 2010
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
(2) then I modified the input file with the following lines (and
deleted the FORCE_EVAL%SUBSYS section):
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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