[CP2K:4138] CP2K Restart problem

[stclair]

Hi, Sandeep,

Great help. Thanks very much.

Best,
Lei

On Wednesday, October 31, 2012 12:02:17 AM UTC-5, sandeep wrote:
>
> Hi,
>     By default, It will restart following quantities.
> (You may see irrelevant keywords being restarted. They can be ignored 
> safely)
>
>
> RESTARTED QUANTITIES:                                                     
>   *
>  *                       CELL                                             
>      *
>  *                       COORDINATES                                       
>     *
>  *                       RANDOM NUMBER GENERATOR                           
>     *
>  *                       VELOCITIES                                       
>      *
>  *                       MD COUNTERS                                       
>     *
>  *                       METADYNAMIC COUNTERS                             
>      *
>  *                       MD AVERAGES                                       
>     *
>  *                       PARTICLE THERMOSTAT                               
>     *
>  *                       CONSTRAINTS/RESTRAINTS                           
>      *
>  *                       METADYNAMICS                                     
>      *
>  *                       REAL TIME PROPAGATION                             
>     *
>  *                       PINT BEAD POSITIONS                               
>     *
>  *                       PINT BEAD VELOCITIES                             
>      *
>  *                       PINT NOSE THERMOSTAT                             
>      *
>  *                       PINT GLE THERMOSTAT                               
>     *
>  *                       HELIUM BEAD POSITIONS                             
>     *
>  *                       HELIUM PERMUTATION STATE                         
>      *
>  *                       HELIUM FORCES ON SOLUTE                           
>     *
>  *                       HELIUM RNG STATE                  
>
>
> It's enough to set it to single line as you did. 
>
> -Sandeep 
>  
>
>
>
>
> On Wed, Oct 31, 2012 at 10:27 AM, stclair <leil... at gmail.com<javascript:>
> > wrote:
>
>> Hi, I have a question about Ext_Restart section.
>>
>> To restart a MD job, I set like below but didn't set up RESTART_VEL,  
>> RESTART_POS and RESTART_THERMOSTAT. In this case, what's the default values 
>> of these parameters? I cannot really understand what is discribed in the 
>> manual (a lone key work).
>> &EXT_RESTART
>>   RESTART_FILE_NAME  *.restart
>>  &END EXT_RESTART
>>
>> Thanks.
>>
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>
>
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