[molpro-user] too large molecule?

[Andy May]

Please could you post the input file?

Thanks,

Andy

On 05/02/11 00:17, Jeong Sik Lim wrote:
> I am running the calculation of 16 atomic molecule in 64 bit mpp version.
> 
> I got following massage.
> 
>  
> 
> MAXCEN TOO LARGE IN GEOMETRY RECORD: 400 CURRENT VALUE: 200
> 
> INCREASE MXATM AND RECOMPILE OR TRY "RESTART,NOGEO" TO RECOVER
> 
>  
> 
> "restart,nogeo" flag doesn't work unfortunately.
> 
>  
> 
> Is there other instruction to avoid recompiling?
> 
> Teach me please.
> 
>  
> 
> Thank you.
> 
> 
> 
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