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Probable illegal memory access in semint_shc.f

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2 weeks 2 days ago - 2 weeks 2 days ago #1045 by TiborGY
Dear developers,

One of the warnings emmitted by the newest Intel compiler has lead me to believe that there are a number of lines in semint_shc.f, where the program is performing an illegal memory access (reading past the end of the array).

For example at line 200 of semint_shc.f:
ss(3)=coef(2)*tt
where coef seems to be the 2 element array defined in line 163:
real*8 coord(3,*),coef(0:1),ptol,atchg(ncent),arg
Since coef is defined with indexes 0 to 1, reading at index 2 is illegal, and results in undefined behaviour.

There are a number of other locations where similar illegal memory access is performed, mostly in semint_shc.f, nucint_shc.f, onein1_shc.f, nuceq1_shc.f and nucat1_shc.f, all of them seem to be related to a "coef" array.

Here is the relevant part of the build log, for semint_shc.f:
Warning: Spoiler!
Last edit: 2 weeks 2 days ago by TiborGY.

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