MD run error

satya satyanaray... at gmail.com
Fri Oct 19 08:34:11 CEST 2012


Hi all,
   I am running MD on BN system containing F atom. I came through this 
error. Can please suggest me what type of error this is and how to get rid 
of it..
*************************************************************************
 *** ERROR in nhc_to_particle_mapping (MODULE extended_system_mapping) ***
 *************************************************************************

 *** Zero degrees of freedom. Nothing to thermalize! ***

 *** Program stopped at line number 192 of MODULE extended_system_mapping 
***

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

            4 nhc_to_particle_mapping
            3 initialize_nhc_part
            2 qs_mol_dyn_low
            1 CP2K
 CP2K| Abnormal program termination, stopped by process number 0
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

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