Wanted... executable MOPAC

By ADemo at Sun, Feb 17 2008 4:48pm |

Hello

I try to compile MOPAC on a mac-intel. I use the files (found with ghemical) converted from fortran to c. I can't compile with XCode: the link failed because the do_fio function.
I have not find the solution.

Has some one tried (with success) to compile MOPAC on a mac.... or where can we find a mopac executable ?

Thank you for you'r answer and excuse my very bad english !!!!!!!

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Wed, 2008-03-19 09:50 — ghutchis

Try MOPAC 7.1

I strongly suggest trying MOPAC 7.1 from http://openmopac.net/

Alternatively, MOPAC (AM1, PM3, etc.) is implemented as part of GAMESS-US http://www.msg.ameslab.gov/GAMESS/

One benefit to GAMESS is that they provide pre-compiled Mac binaries for both PPC and Intel and you can do more involved QM calculations as needed.

Wed, 2008-03-19 14:40 — ADemo

Thank you but... I don't

Thank you but... I don't find any executable in the site openmopac.net that run on Mac OS X intel !

I you have found such executable, could you tell me where I can find it ?

Thank you again

Wed, 2008-03-19 19:39 — ghutchis

No MOPAC Executable

No, Open MOPAC doesn't have executables for Mac (either Intel or PowerPC), but as I said, GAMESS does provide them.

I mentioned Open MOPAC because you had trouble compiling the old Ghemical version. I was a co-maintainer of Ghemical for Mac for several years -- it's too much trouble. The Fortran to C conversion was never very effective. It's much easier to use a real Fortran compiler on the actively-maintained Fortran code (i.e. Open MOPAC). If you are willing to compile the Fortran source, it's available:

http://openmopac.net/Downloads/Mopac_7.1source.zip

Hope that helps!