RE: [AMBER-Developers] Compiling problem with a fresh checkout

From: Wu, Xiongwu (NIH/NHLBI) [E] <"Wu,>
Date: Thu, 22 Oct 2009 14:56:35 -0400

Yes, you are right. Gcc 3.4.6 don't support Fortran 90.

I find LAM/MPI using gcc 4.1.2 if built with the old configure files:
./configure_amber -lamsource gfortran (comment out the exit command)
./configure_lam

But if I build LAM/MPI at lam-7.1.3 as I said before, it will use gcc 3.4.6. That's very strange.

Thanks for your help!

Xiongwu


> -----Original Message-----
> From: Ben Roberts [mailto:roberts.qtp.ufl.edu]
> Sent: Thursday, October 22, 2009 1:51 PM
> To: AMBER Developers Mailing List
> Subject: Re: [AMBER-Developers] Compiling problem with a fresh checkout
>
> Hi Xiongwu,
>
> You seem to have version differences between your mpi and non-mpi
> compilers. You will see that your mpi compiler points to gcc 3.4.6,
> while your non-mpi compiler is version 4.1.2.
>
> I'm not sure whether version 3.4.6 supports Fortran 90; the page at
> http://gcc.gnu.org/onlinedocs/gcc-3.4.6/g77/News.html suggests that it
> used g77, which sounds (by the name) like it supports only Fortran 77.
> If that's the case, the Fortran 90 features in Amber (of which there are
> many) will not be correctly built. Another possibility is to pass the
> "-ff90" flag to your mpif77, though see my next point.
>
> Mixing compiler versions between the serial and parallel code may cause
> enough problems of its own for the resulting binaries, even if you could
> get your code compiled.
>
> One thing you could try is to update your LAM-MPI. You may need to get
> LAM-MPI source and build it against your current (4.1.2) gcc, g++ and
> gfortran compilers. Alternatively, there may be a newer LAM-MPI binary
> package available for you. Much of my work has been with openMPI, so I
> can't help you with specifics.
>
> I hope that helps a bit...
>
> Cheers,
> Ben
>
> Wu, Xiongwu (NIH/NHLBI) [E] wrote:
> > Hi Ben,
> >
> > I did all you said and have no luck. Here are the outputs:
> >
> > EMstation 424: mpif77 -v
> > Reading specs from /usr/lib/gcc/x86_64-redhat-linux/3.4.6/specs
> > Configured with: ../configure --prefix=/usr --mandir=/usr/share/man --
> infodir=/usr/share/info --enable-shared --enable-threads=posix --disable-
> checking --with-system-zlib --enable-__cxa_atexit --disable-libunwind-
> exceptions --enable-languages=c,c++,f77 --disable-libgcj --host=x86_64-
> redhat-linux
> > Thread model: posix
> > gcc version 3.4.6 20060404 (Red Hat 3.4.6-4)
> >
> > EMstation 425: gfortran -v
> > Using built-in specs.
> > Target: x86_64-redhat-linux
> > Configured with: ../configure --prefix=/usr --mandir=/usr/share/man --
> infodir=/usr/share/info --enable-shared --enable-threads=posix --enable-
> checking=release --with-system-zlib --enable-__cxa_atexit --disable-
> libunwind-exceptions --enable-libgcj-multifile --enable-
> languages=c,c++,objc,obj-c++,java,fortran,ada --enable-java-awt=gtk --
> disable-dssi --enable-plugin --with-java-home=/usr/lib/jvm/java-1.4.2-gcj-
> 1.4.2.0/jre --with-cpu=generic --host=x86_64-redhat-linux
> > Thread model: posix
> > gcc version 4.1.2 20080704 (Red Hat 4.1.2-44)
> >
> > EMstation 426: make parallel
> > Starting installation of Amber11 (parallel) at Thu Oct 22 12:59:19 EDT
> 2009.
> > cd sander && make parallel
> > make[1]: Entering directory
> `/v/bigbox6/home/wxw/ambers/amber11/src/sander'
> > cpp -traditional -P -DNO_SANDER_DIVCON -DBINTRAJ -DMPI constants.f >
> _constants.f
> > mpif77 -c -O3 -ffree-form -o constants.o _constants.f
> > _constants.f:89:
> > module constants
> > 1 2
> > Unrecognized statement name at (1) and invalid form for assignment or
> statement-function definition at (2)
> > _constants.f: In program `MAIN__':
> > _constants.f:93:
> > double precision, parameter :: TEN_TO_MINUS2 = 1.0d-2
> > ^
> > ......
> > (a lot of output)
> > ......
> > integer, parameter :: NO_INPUT_VALUE = 12344321 ! from Bob Duke
> > ^
> > Fortran 90 feature at (^) unsupported
> > _constants.f:228:
> > end module constants
> > ^
> > Invalid form for END statement at (^)
> > _constants.f:93:
> > double precision, parameter :: TEN_TO_MINUS2 = 1.0d-2
> > ^
> > End of source file before end of block started at (^)
> > mpif77: No such file or directory
> > make[1]: *** [constants.o] Error 1
> > make[1]: Leaving directory
> `/v/bigbox6/home/wxw/ambers/amber11/src/sander'
> > make: *** [parallel] Error 2
> >
> >
> > there is no mpif90 $(AMBERHOME)/bin from lam-7.1.3
> >
> > Thanks!
> >
> > Xiongwu
>
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Received on Thu Oct 22 2009 - 12:00:03 PDT
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