[CP2K-user] CPASSERT failed qmmmx_update.F:193

[Václav Havel]

Dear CP2K users,
I am using Adaptive Buffered force QMMM (AdBF-QM/MM) method to do MD. But I 
can see only one timestep MD was done and then warning happened as follows:
*******************************************************************************
 *   ___                                                                    
   *
 *  /   \                                                                  
    *
 * [ABORT]                                                                  
   *
 *  \___/                             CPASSERT failed                      
    *
 *    |                                                                    
    *
 *  O/|                                                                    
    *
 * /| |                                                                    
    *
 * / \                                                      
qmmmx_update.F:193 *
 *******************************************************************************
I don't know what to do. Could you give me some helps?  I have input and 
output files, but the size is too big to upload. If you need them, I am 
willing to provide.

Thanks advance
Vaclav

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