Multiwfn forum

kjelljorner

Member

Registered: 2022-06-15

Posts: 11

Error compiling with GFortran

I have some trouble compiling the newest version of multiwfn with GFortran. I think "ifPBC" should be "PBCdir"

/Users/kjelljorner/Documents/GitHub/multiwfn-mac-build/cp2kmate.f90:353:16:

  353 |             if (ifPBC=="XYZ") then
      |                1
Error: Operands of comparison operator '==' at (1) are INTEGER(4)/CHARACTER(3)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: Error compiling with GFortran

This bug has already been identified (see patch at #6 in http://www.shanxitv.org/wfnbbs/viewtopic.php?id=733), it will be fixed in the next update. Please manually rectify it currently (replace "ifPBC" with "PBCdir")