<![CDATA[Multiwfn forum / Linux version, Lambda index, excited state crashing]]> http://sobereva.com/wfnbbs/viewtopic.php?id=427 Wed, 16 Dec 2020 15:38:19 +0000 FluxBB <![CDATA[Re: Linux version, Lambda index, excited state crashing]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=1503#p1503 1) I can normally calculate lambda index via my precompiled Multiwfn 3.8(dev) in CentOS 7.4 system, the output information of Multiwfn has been attached here: out.txt, please have a check. Please make sure that you have properly configured your system as mentioned in Section 2.1.2 of Multiwfn manual.

2) "Examples" folder is available in both Windows and Linux Multiwfn binary packages. It is only not provided in source code package.

]]> Wed, 16 Dec 2020 15:38:19 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=1503#p1503 <![CDATA[Linux version, Lambda index, excited state crashing]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=1502#p1502 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?

]]> Wed, 16 Dec 2020 11:49:27 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=1502#p1502