pw_grid_assign error

Yue yueyan... at gmail.com
Tue Jul 31 00:12:44 CEST 2012


Hello,

I've encountered a problem with pw_grid_assign. The error message appears 
immediately after molecules kind info:

 MOLECULE KIND SET INFORMATION               Total Number of bonds:       
 38484
                                             Total Number of bends:       
 14053
                                             Total Number of Urey-Bradley: 
    0
                                             Total Number of torsions:     
22124
                                             Total Number of improper:     
    0
                                              Total Number of opbends:     
    0

 *************************************************************************
 *** 15:05:21 ERRORL2 in pw_grids:pw_grid_assign processor 0  err=-300 ***
 *** condition FAILED at line 1440                                     ***
 *************************************************************************


 ===== Routine Calling Stack =====

            8 pw_grid_assign
            7 pw_grid_setup
            6 ewald_pw_init
            5 fist_init_subsys
            4 fist_init
            3 fist_create_force_env
            2 qmmm_create_force_env_low
            1 CP2K
 CP2K| condition FAILED at line 1440
 CP2K| Abnormal program termination, stopped by process number 0
 CP2K| condition FAILED at line 1440
 CP2K| Abnormal program termination, stopped by process number 4
 CP2K| condition FAILED at line 1440
 CP2K| Abnormal program termination, stopped by process number 1
 CP2K| condition FAILED at line 1440
 CP2K| Abnormal program termination, stopped by process number 3

My input is attached. Can anyone point out what's the problem here? Thank 
you!

Best,
Yue
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