Version 2.11 of DL_POLY_2 differs from previous versions in that it incorporates the functionality of the utility code PARSET within the code itself and uses FORTRAN 90 dynamic array allocation to set the array sizes at run time. This is a considerable advance on previous practice and means that a single executable may be compiled to over all the likely uses of the code. It is not foolproof however. Sometimes an estimate of the required array sizes is difficult to obtain and the calculated value may be too small. For this reason DL_POLY_2 retains all the old array dimension checks and will terminate as before when an array bound error occurs.
When a dimension error occurs, the standard user response is to edit the DL_POLY_2 subroutine PARSET.F. Locate where the variable defining the array dimension is fixed and increase accordingly. To do this you should make use of the dimension information that DL_POLY_2 prints in the OUTPUT file prior to termination. If no information is supplied, simply doubling the size of the variable will usually do the trick. If the variable concerned is defined in one of the support subroutines CFGSCAN.F, FLDSCAN.F, CONSCAN.F you will need to insert a new line in PARSET.F to redefine it - after the relevant subroutine has been called! Finally the code must be recompiled, but in this case it will be necessary only to recompile PARSET.F and not the whole code.