ERRORL3 in thermostat_utils

Guanna Li guanna... at gmail.com
Thu Feb 25 10:03:52 CET 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         ***
>  **********************************************************************
>  **********************************************************************
>
>
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