ERRORL3 in thermostat_utils
Guanna Li
guanna... at gmail.com
Thu Feb 25 09:03:52 UTC 2016
It was caused by the WALL I added in METAVAR section. You can see the last
line of COLVAR output, there was a potential added into the system.
Did anyone have the same problem?
4005.00000000 3.17841 2.62106 -0.03247 0.04546
0.00000 0.00000 0.00060 0.00000
4006.00000000 3.06687 2.73398 0.00000 0.00000
0.00000 0.00000 0.00000 0.00000
4007.00000000 2.97502 2.82865 0.00000 0.00000
0.00000 0.00000 0.00000 0.00000
4008.00000000 2.89496 2.91241 0.00000 0.00000
0.00000 -14.48105 0.00000 0.52425
4009.00000000 9.72201 3.92590 0.00000 0.00000
0.00000 -217.17944 0.00000 117.91727
On Wednesday, February 24, 2016 at 9:54:32 AM UTC+1, Guanna Li wrote:
>
> Hi CP2Ker,
>
> I got the following error report when doing metadynamics. Is there anyone
> know how to fix it? the input files are attached.
>
> Thank you!
>
> **********************************************************************
> **********************************************************************
> *** 18:49:24 ERRORL3 in thermostat_utils:communication_thermo_low1 ***
> *** processor 0 :: err=-300 condition FAILED at line 1877 ***
> **********************************************************************
> **********************************************************************
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160225/81e1528d/attachment.htm>
More information about the CP2K-user
mailing list