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Joined: Dec 2011
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Dear all,
I tried to install CHARMM v47b1 on a Macbook M1 arm running OSX 13.0. I installed first gfortran 12.2.0,

The first step (configure) display a number of warnings and some steps failed but finish "normally" with the message:

you are now ready to run make in
/Applications/charmm/build/cmake

The second step "make -C build/cmake install" starts correctly but stops with the error message:

[ 63%] Building Fortran object CMakeFiles/charmm_fortran.dir/fsshake.F90.o
/Applications/charmm/build/cmake/fsshake.F90:498:53:

391 | call sort(nother,exch5,order5,itemp,jtemp,ktemp,0,0,0,0,3)
| 2
......
498 | call sort(mshkgp,exch5,order5,nshkgp,bshkgp,0,0,0,0,0,2)
| 1
Erreur: Rang non concordant entre l'argument effectif à (1) et l'argument effectif à (2) (rang 1 et scalaire)
make[3]: *** [CMakeFiles/charmm_fortran.dir/fsshake.F90.o] Error 1
make[2]: *** [CMakeFiles/charmm_fortran.dir/fsshake.F90.o.provides] Error 2
make[1]: *** [CMakeFiles/charmm_fortran.dir/all] Error 2
make: *** [all] Error 2

Any suggestion ? Does anyone compile charmm on a MacBook M1 arm running OSX 13.0 ? And how to do it ?

Thanks in advance.
Best regards.
Philippe Cuniasse.

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I was able to compile with gfortran 12.2.0 on macOS 13.2 on an M1 Pro just now.

I'm using cmake version 3.25.2

What options did you give the configure script?

Also what was the full output of the configure script?

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Thank you for your answer.
Actually, I did not use any option as suggested in install.com. Just ./configure expecting the default option would be OK.
Then I installed Xcode and reinstall the program but encountered the same error.
I checked the version of cmake with was for some reason 3.0.2
Then I updated CMake to 3.25.2 and reinstalled.
This time, I still have some warnings during step2 but the executable is produced.
I will now test the code to check if everything is OK.
So I think the main problem was the version of CMake I used.
Thanks again for your help.
Best regards.
Philippe Cuniasse.


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