ERRORL3 in thermostat_utils

Guanna Li guanna... at gmail.com
Thu Feb 25 11:03:44 CET 2016


I think I know what the problem is. The wall I gave was too high and too 
steep. 
I decreased the K value and then everything is going well now.

Hope this would help other new CP2Kers. 

On Thursday, February 25, 2016 at 10:03:53 AM UTC+1, Guanna Li wrote:
>
> 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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