Linux executable fails.
Closed this issue · 2 comments
paulsaxe commented
I downloaded the Linux executable from http://openmopac.net/MOPAC2016_for_Linux_64_bit.zip
When I run it, it gives errors to the terminal and NaN's in the output:
Sat Mar 12 14:34:24 2022 Job: 'mopac' started successfully
Intel MKL ERROR: Parameter 1 was incorrect on entry to DSYEVD.
Intel MKL ERROR: Parameter 1 was incorrect on entry to DSYEVD.```
An executable from a couple weeks ago works fine.
godotalgorithm commented
I've verified the problem with this build, and I suspect that MOPAC was linked against the wrong BLAS/LAPACK MKL interface in this instance. The other Linux builds (http://openmopac.net/MOPAC2016_for_CentOS-6.zip
and http://openmopac.net/MOPAC2016_for_CentOS-7.zip
) seem to be working fine and are practically interchangeable with the one you are trying to use. I'll notify Jimmy of this problem, and it should be simple enough for him to fix on his end.
godotalgorithm commented
Jimmy fixed the problem.