output error with MULTIPLE_FORCE_EVALS and constraints

[ning.zh... at gmail.com]

Hi all,

I use the multiple_force_evals and constraints to calculate the energy gay 
between MoO3(H2O)3 and MoO3(OH)-. However, there are some errors leading to 
not run the normal calculation. The errors are as follow:

..........
.........
MIXED_ENV| Number of created MPI groups:                                   
   1
 MIXED_ENV| Task to group correspondence:
  (   0 :    0)
          
**********************************************************************
 COLVARS| COLVAR INPUT INDEX:        1
 COLVARS| COMBINATION OF THE FOLOWING COLVARS:
          
----------------------------------------------------------------------
 COLVARS| COLVAR INPUT INDEX:        1
 COLVARS| BOND          >>> ATOMS:                                     7   
    8
          
----------------------------------------------------------------------
          
----------------------------------------------------------------------
 COLVARS| COLVAR INPUT INDEX:        2
 COLVARS| ANGLE          >>> ATOMS:                            8       7   
    9
          
----------------------------------------------------------------------
          
----------------------------------------------------------------------
 COLVARS| COLVAR INPUT INDEX:        3
 COLVARS| ANGLE          >>> ATOMS:                            1       7   
    8
          
----------------------------------------------------------------------
 COLVARS| COMBINING FUNCTION : CV1+CV2+CV3
 COLVARS| VARIABLES : CV1 CV2 CV3 

 COLVARS| DEFINED PARAMETERS [label]  [value]:
 COLVARS| ERROR ON DERIVATIVE EVALUATION                             
 .10000E-11
 COLVARS| DX                                                         
 .10000    
          
**********************************************************************

 *****************************************************************************
 *** 18:07:23 ERRORL2 in topology_input:read_constraints_section processor 
***
 *** 0  :: err=-300 condition FAILED at line 568                           
***
 *****************************************************************************


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

            4 topology_control
            3 mixed_init
            2 mixed_create_force_env
            1 CP2K
 CP2K| condition FAILED at line 568
 CP2K| Abnormal program termination, stopped by process number 0

cp2k job started: Sat Jun 13 18:07:23 CST 2015
cp2k job finished: Sat Jun 13 18:07:24 CST 2015
Elapsed time: 1

I have attached the input file. Do anybody have a look and introduce me a 
right direction?

Ning
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