mmc runtime problem

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#8 mmc runtime problem

Milestone: General

Status: open

Owner: nobody

Labels: DISCUS (5)

Priority: 5

Updated: 2012-10-05

Created: 2010-01-02

Creator: Lin Xie

Private: No

Hi, I'm using the mmc module of discus, trying to simulate displacement correlations.
However, everytime I will get an error message like 'At line 3130 of file mmc.f. Fortran runtime error: Array reference out of bounds for array 'chem_ave_pos', upper bound of dimension 2 exceeded (256 > 255)'.
I try to figure out what's wrong and have read the source code. In mmc.f file, I find that an integer array is(2), which are the correlated sites, is defined in subroutine mmc_run_multi. Nevertheless, there's no explicit initialization of their values and thus the array chem_ave_pos could not be indexed exactly.

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Lin Xie - 2010-01-03

Sorry for the incorrect description. Finally I've found the problem in the code. I've make these changes:
change 'real rdj' in line 2244 to 'real rdj(CHEM_MAX_COR)'
change 'chem_ave_pos(j,i)' in line 3130 to 'chem_ave_pos(j,is)'

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#8 mmc runtime problem

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