If you run into troubles, it is always a good habit to report the following information:
  • the way build.mrcc was invoked
  • the output of build.mrcc
  • compiler version (for example: ifort -V, gfortran -v)
  • blas/lapack versions
  • as well as gcc and glibc versions

as well as the value of the relevant environmental variables, such OMP_NUM_THREADS, etc.

This information helps us a lot when figuring out what is going on with your compilation :)

Probable illegal memory access in semint_shc.f

  • TiborGY
  • Topic Author
  • Offline
  • New Member
  • New Member
More
3 years 10 months ago - 3 years 10 months ago #1045 by TiborGY
Probable illegal memory access in semint_shc.f was created 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:
Code:
ss(3)=coef(2)*tt
where coef seems to be the 2 element array defined in line 163:
Code:
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: 3 years 10 months ago by TiborGY.

Please Log in or Create an account to join the conversation.

Time to create page: 0.045 seconds
Powered by Kunena Forum

MRCC Login