The specified OLD file cannot be opened

[Matt W]

Hi,

you need to set the FIRST_SNAPSHOT variable to 1 (or higher). 

BTW, your settings for exact exchange in the B3LYP functional are not good 
- you truncate the coulomb interaction very hard, but don't include a long 
range correction.

Matt

On Tuesday, October 25, 2016 at 5:52:37 PM UTC+1, Yiyang wrote:
>
> Dear Marcella,
>
> Thank you for your correction, it works.
> However, I got this error message:
>
>
>  *******************************************************************************
>  *   ___                                                                   
>     *
>  *  /   \                                                                 
>      *
>  * [ABORT]                                                                 
>     *
>  *  \___/                             CPASSERT failed                     
>      *
>  *    |                                                                   
>      *
>  *  O/|                                                                   
>      *
>  * /| |                                                                   
>      *
>  * / \                                               
> motion/reftraj_util.F:108 *
>
>  *******************************************************************************
>
> I think there is still something wrong in my script or reftrj files.
>
> Regard,
> Yiyang 
>
>
> On Tuesday, October 25, 2016 at 12:00:43 AM UTC-7, Marcella Iannuzzi wrote:
>>
>>
>> Dear Yiyang,
>>
>> please remove the quotes from the file name.
>> Regards
>> Marcella
>>
>
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