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Message 100: error - forces working arrays too small

There are a number of arrays in DL_POLY_2 that function as workspace for the forces calculations. Their dimension is equal to the number of atoms in the simulation cell divided by the number of nodes. If these arrays are likely to be exceeded, DL_POLY_2 will terminate execution.

Action:
Standard user response. Fix the parameter msatms.



W Smith 2003-05-12