How to compile Mopac 7.1 using g77 or gfortran
in [Fortran]
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From: Jinsong.Zhao on 1 Oct 2008 03:37 Thank you all very much for your kindly help. Now, it seems that the problem result from those subroutines that use module funcon_C in the form like: USE funcon_C, only : a0, fpc_9, ev And the error message like: analyt.o: In function `analyt_': analyt.F90:(.text+0x2ba): undefined reference to `__funcon_c__a0' analyt.F90:(.text+0x1875): undefined reference to `__funcon_c__fpc_9' I am not familiar with Fortran, and gfortran. Could it be eliminated by a compiler option? or need to modify the source code, something like: USE funcon_C Any suggestions? Thanks, Jinsong
From: user1 on 1 Oct 2008 07:29 Jinsong.Zhao(a)gmail.com wrote: > On Oct 1, 11:29 am, user1 <u...(a)example.net> wrote: > >> cd src_modules >> gfortran -c vastkind.f90 >> gfortran -c *.f90 >> copy *.mod ..\Modules >> ar -r libmodules.a *.o >> del *.o >> del *.mod >> >> cd ..\src_interfaces >> gfortran -I..\Modules -c *.f90 >> copy *.mod ..\Modules >> ar -r libinterfaces.a *.o >> del *.o >> del *.mod >> >> cd ..\src_subroutines >> gfortran -I..\Modules -c *.f90 >> >> gfortran *.o ..\src_modules\libmodules.a ..\src_interfaces\libinterfaces.a >> -o mopac7.exe > > Thank you very much, except the last step, it works well. > > The last step also give error message like > > analyt.o: In function `analyt_': > analyt.F90:(.text+0x2ba): undefined reference to `__funcon_c__a0' > analyt.F90:(.text+0x2c8): undefined reference to `__funcon_c__a0' > analyt.F90:(.text+0x2ce): undefined reference to `__funcon_c__a0' > analyt.F90:(.text+0x1875): undefined reference to `__funcon_c__fpc_9' > analyt.o: In function `delri_': > analyt.F90:(.text+0x3988): undefined reference to `__funcon_c(...) > (void)' > analyt.F90:(.text+0x3995): undefined reference to `__funcon_c__a0' > analyt.F90:(.text+0x399d): undefined reference to `__funcon_c__a0' > > If I change the following line in analyt.F90: > USE funcon_C, only : a0, fpc_9, ev > to > USE funcon_C > > Then the error message disappear, however, I don't know whether > it would give error result. > > Thanks again. > Jinsong Phoeey. Under Windows, I did modify "external getarg" and "external iargc " as mentioned elsewhere. That appeared to be sufficient, although I did not test the resulting mopac7.exe When I build under linux, I see the same undefined reference stuff (funcon_c__a0) ...
From: Jinsong.Zhao on 1 Oct 2008 09:20 On Oct 1, 7:29 pm, user1 <u...(a)example.net> wrote: > Jinsong.Z...(a)gmail.com wrote: > > On Oct 1, 11:29 am, user1 <u...(a)example.net> wrote: > > >> cd src_modules > >> gfortran -c vastkind.f90 > >> gfortran -c *.f90 > >> copy *.mod ..\Modules > >> ar -r libmodules.a *.o > >> del *.o > >> del *.mod > > >> cd ..\src_interfaces > >> gfortran -I..\Modules -c *.f90 > >> copy *.mod ..\Modules > >> ar -r libinterfaces.a *.o > >> del *.o > >> del *.mod > > >> cd ..\src_subroutines > >> gfortran -I..\Modules -c *.f90 > > >> gfortran *.o ..\src_modules\libmodules.a ..\src_interfaces\libinterfaces.a > >> -o mopac7.exe > > > Thank you very much, except the last step, it works well. > > > The last step also give error message like > > > analyt.o: In function `analyt_': > > analyt.F90:(.text+0x2ba): undefined reference to `__funcon_c__a0' > > analyt.F90:(.text+0x2c8): undefined reference to `__funcon_c__a0' > > analyt.F90:(.text+0x2ce): undefined reference to `__funcon_c__a0' > > analyt.F90:(.text+0x1875): undefined reference to `__funcon_c__fpc_9' > > analyt.o: In function `delri_': > > analyt.F90:(.text+0x3988): undefined reference to `__funcon_c(...) > > (void)' > > analyt.F90:(.text+0x3995): undefined reference to `__funcon_c__a0' > > analyt.F90:(.text+0x399d): undefined reference to `__funcon_c__a0' > > > If I change the following line in analyt.F90: > > USE funcon_C, only : a0, fpc_9, ev > > to > > USE funcon_C > > > Then the error message disappear, however, I don't know whether > > it would give error result. > > > Thanks again. > > Jinsong > > Phoeey. Under Windows, I did modify "external getarg" and "external iargc " as > mentioned elsewhere. That appeared to be sufficient, although I did not test the > resulting mopac7.exe > would you like to test the resulting mopac7.exe? > When I build under linux, I see the same undefined reference stuff > (funcon_c__a0) ... I have to modify the source code by changing USE funcon_C, only : ... to USE funcon_C, and compile it successfully. However, after running it using a example input, I get segmentation fault. I have try to trace the error, find it come from setup_mopac_arrays.f90 line 47. However, I don't know how to fix it. Maybe it's a fault of gfortran? I also try to compile it on solaris using f90, however, there are many errors about "missing '". But I test setup_mopac_arrays.F90, it dose not give any error. Regards, Jinsong
From: user1 on 1 Oct 2008 09:59 [snip] >> > > would you like to test the resulting mopac7.exe? > If you have a short input file that could be used for testing, perhaps you could post it. I am also trying to build it with g95 under Windows. I am picking up compilation errors under g95 that did not show up under gfortran. Mostly improper continuation lines. You do know that Mopac2007 is available free for academic use - as both linux and windows binaries ??
From: Jinsong.Zhao on 1 Oct 2008 11:49
On Oct 1, 9:59 pm, user1 <u...(a)example.net> wrote: > > If you have a short input file that could be used for testing, perhaps you could > post it. here is a example input file: ------------->begin here<-------------- AM1 T=600 NOINTER VECTORS LOCAL EF EXAMPLE OF MOPAC DATA-SET FOR ETHYLENE The only geometric constraint is that the system must be planar C 0 0 0 0 0 0 0 0 0 C 1.3 1 0 0 0 0 1 0 0 H 1.1 1 120 1 0 0 2 1 0 H 1.1 1 120 1 0 0 1 2 3 H 1.1 1 120 1 180 0 1 2 3 H 1.1 1 120 1 0 0 2 1 5 ----------->end here<----------- > > I am also trying to build it with g95 under Windows. I am picking up compilation > errors under g95 that did not show up under gfortran. Mostly improper > continuation lines. I am trying to build it with f90 under solaris, as you mentioned, it give improper continuation lines. After correct it, the compile could give correct results. > > You do know that Mopac2007 is available free for academic use - as both linux > and windows binaries ?? Yes, I know it. However, I also hope to compile it from source. Thanks and regards, Jinsong |