Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 Multiwfn and wavefunction analysis » Linux version, Lambda index, excited state crashing » 2020-12-16 11:49:27

frj
Replies: 1

Example 4.18.4 for calculating the lambda index works on the precompiled Windows Multiwfn version 3.8
However, I have been unable to get it to work on the corresponding Linux version, or the Linux version 3.7.
In both cases it crashes with a segmentation error.
Calculating the the delta-r in the same example works fine.
The Linux was compiled in the noGUI version using ifort 2020/4 version.
Is this a known failure, or a compiler issue?
BTW: I have failed to find an examples directory in the Linux distribution, any reason for not including the examples in the Linux version?

Board footer

Powered by FluxBB