Multiwfn forum

adam.jaros

Member

Registered: 2019-03-28

Posts: 2

Segmentation fault (core dumped)

Hi,
I was using Windows version of 3.5 version and all went well.
When I downloaded Linux version of 3.5 version, the program starts but fails after loading of wf file.
Any suggestions? Output below:

Please wait...
Loading various information of the wavefunction
The highest angular moment basis functions is G
Loading basis-set definition...
Loading orbitals...
Converting basis function information to GTF information...
Generating overlap matrix...
Back converting basis function information from Cartesian to spherical type...
Generating density matrix based on SCF orbitals...
Segmentation fault (core dumped)

Thanks,
Adam

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,768

Website

Re: Segmentation fault (core dumped)

Dear Adam,

First, please update to 3.6(dev) version. The 3.5 is already old.
Then, please make sure that you have properly configure your system according to the description in Section 2.1.2 of the manual. The this problem is usually caused by improper configuration of running environment.

Best,

Tian

adam.jaros

Member

Registered: 2019-03-28

Posts: 2

Re: Segmentation fault (core dumped)

Up and running, problem was the Ubuntu stacksize. Thanks!