Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

You are not logged in.

#1 2018-02-27 11:48:46

michaelp
Member
Registered: 2018-02-06
Posts: 5

Compiling MultiWFN dev. version 3.5

Hello all,

I was trying to compile the development version of MultiWFN under linux. But the compilation fails. I am trying to compile the noGUI version and I have tried different versions of ifort. All versions (14-18) crash with the following error message:

/tmp/ifort2kAtx2.o: In function `MAIN__':
wfn.f90:(.text+0x742): undefined reference to `selfilegui_'
wfn.f90:(.text+0x4dd9): undefined reference to `igm_'
wfn.f90:(.text+0x4dec): undefined reference to `rdg_md_'
wfn.f90:(.text+0x4e10): undefined reference to `orbloc_'
make: *** [default] Error 1

Any ideas how to resolve the issue?

Thank you,
Michael

Offline

#2 2018-02-27 13:00:28

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 68
Website

Re: Compiling MultiWFN dev. version 3.5

Dear Michael,

I have fixed this problem, please download the latest 3.5(dev) version and retry.

Best wishes,

Tian

Offline

#3 2018-03-19 13:44:17

michaelp
Member
Registered: 2018-02-06
Posts: 5

Re: Compiling MultiWFN dev. version 3.5

Dear Tian,

that did the trick! Thank you very much.

Best wishes,
Michael

Offline

Board footer

Powered by FluxBB