Multiwfn forum

cprguru

Member

Registered: 2023-02-13

Posts: 1

Multiwfn program crashed on opening the .fchk file

I generated the .fchk file by mentioning 'formcheck' keyword in the .com input file before running it in the Gaussian 16 in a supercomputer.

I am using multiwfn in windows and when i dragged and dropped the .fchk file in the command prompt, lot of lines appeared quickly and the window closes automatically (in a second).

How to fix this?

Thanks,
Ganesh

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: Multiwfn program crashed on opening the .fchk file

Three possible reasons:
(1) The .fchk file was corrupted, for example, the file was not entirely transferred from supercomputer to your local machine.
(2) The keywords used in Gaussian didn't produce wavefunction information. You need to provide all keywords for my checking.
(3) The version of Multiwfn is too old.

In addition, you can enter command-line environment and then run Multiwfn, then when Multiwfn crashes during loading input file, error information will be visible on screen, please show me your screenshot.

Best,

Tian