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Re: Compiling MultiWFN dev. version 3.5

dummy@example.com (michaelp) — Mon, 19 Mar 2018 13:44:17 +0000

Dear Tian,

that did the trick! Thank you very much.

Best wishes,
Michael

Re: Compiling MultiWFN dev. version 3.5

dummy@example.com (sobereva) — Tue, 27 Feb 2018 13:00:28 +0000

Dear Michael,

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

Best wishes,

Tian

Compiling MultiWFN dev. version 3.5

dummy@example.com (michaelp) — Tue, 27 Feb 2018 11:48:46 +0000

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