MD run error
satya
satyanaray... at gmail.com
Fri Oct 19 06:34:11 UTC 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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