Troubleshooting

In recent versions of macOS, the SIP system may prevent python to access DYLD_LIBRARY_PATH environment variable in sub-shells (https://cmsdk.com/python/python-subprocess-call-can-not-find-dylib-in-mac.html). This can be an issue in Q-Chem when compiled using mkl appearing the following error message during execution

dyld: Library not loaded: @rpath/libmkl_intel_lp64.dylib

The workaround without disabling the SIP system is to symbolic link the library libmkl_intel_lp64.dylib to

/usr/local/lib

which is used by default to find the needed libraries.