Re: [AMBER] amber 12 with intel compiler failed

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 27 Apr 2012 16:27:17 -0400

On Fri, Apr 27, 2012 at 4:23 PM, Albert <mailmd2011.gmail.com> wrote:

> ps:
>
> I've already set CC=icc and so on before I compile the series
> version. but the problem seems to be the same..... probably I shouldn't run
>
> make clean
>
> before
>
> ./configure -mpi intel
>

This does not matter. the configure script automatically runs "make
clean", so running "make clean" before configuring in parallel doesn't do
anything. The problem is in your MPI compiler wrappers (mpicc calling gcc
instead of icc).


>
> ?
>
> best
> ALbert
>
>
> On 04/27/2012 09:41 PM, Jason Swails wrote:
> > This is because mpicc is trying to use "gcc", not "icc". (You can verify
> > this with "mpicc -show").
> >
> > As a result, the Intel flags are not recognized (i.e. -xHost).
> >
> > You need to make sure that you build your MPI with the appropriate
> > compilers. You should explicitly set CC=icc CXX=icpc FC=ifort and
> > F77=ifort when you configure your MPI.
> >
> > HTH,
> > Jason
> >
> > On Fri, Apr 27, 2012 at 3:34 PM, Albert<mailmd2011.gmail.com> wrote:
> >
> >> Hello:
> >> I've installed intel Parallel studio xe 2011 sp1 update 2 in my Linux
> >> X64 computer and I've compiled the series version of Amber 12
> >> succsufully by command:
> >>
> >> ./configure intel
> >>
> >> I also use make test for the installation and everything goes well.
> >>
> >>
> >>
> >>
> >> I am trying to compile with -mpi with command:
> >>
> >> make clean
> >>
> >> ./configure -mpi intel
> >>
> >> but it failed with following logs:
> >>
> >> gcc: language Host not recognized
> >> gcc: language Host not recognized
> >> gcc: nmode.c: linker input file unused because linking not done
> >> mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2
> >> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
> >> -I/home/albert/Desktop/amber12//include -o prm.o prm.c
> >> gcc: language Host not recognized
> >> gcc: language Host not recognized
> >> gcc: prm.c: linker input file unused because linking not done
> >> mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2
> >> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
> >> -I/home/albert/Desktop/amber12//include -o rand2.o rand2.c
> >> gcc: language Host not recognized
> >> gcc: language Host not recognized
> >> gcc: rand2.c: linker input file unused because linking not done
> >> mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2
> >> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
> >> -I/home/albert/Desktop/amber12//include -o sasad.o sasad.c
> >> gcc: language Host not recognized
> >> gcc: language Host not recognized
> >> gcc: sasad.c: linker input file unused because linking not done
> >> flex -t mm_options.l | sed -e 's/{stdout}/{DONTchangeSTDOUThere}/' -e
> >> 's/yy/mmo/g' -e 's/stdout/nabout/' -e 's/DONTchangeSTDOUThere/stdout/'>
> >> lex.mm_options.c
> >> mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2
> >> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
> >> -I/home/albert/Desktop/amber12//include -o sff.o sff.c
> >> gcc: language Host not recognized
> >> gcc: language Host not recognized
> >> gcc: sff.c: linker input file unused because linking not done
> >> mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2
> >> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
> >> -I/home/albert/Desktop/amber12//include -o time.o time.c
> >> gcc: language Host not recognized
> >> gcc: language Host not recognized
> >> gcc: time.c: linker input file unused because linking not done
> >> mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2
> >> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
> >> -I/home/albert/Desktop/amber12//include -o xminC.o xminC.c
> >> gcc: language Host not recognized
> >> gcc: language Host not recognized
> >> gcc: xminC.c: linker input file unused because linking not done
> >> mpicc -c -Dflex -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2
> >> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI
> >> -I/home/albert/Desktop/amber12//include -o AmberNetcdf.o AmberNetcdf.c
> >> gcc: language Host not recognized
> >> gcc: language Host not recognized
> >> gcc: AmberNetcdf.c: linker input file unused because linking not done
> >> rm -f /home/albert/Desktop/amber12//lib/libsff_mpi.a
> >> ar rv /home/albert/Desktop/amber12//lib/libsff_mpi.a binpos.o conjgrad.o
> >> lmodC.o memutil.o nblist.o newton.o nmode.o prm.o rand2.o sasad.o sff.o
> >> time.o xminC.o AmberNetcdf.o
> >> ar: creating /home/albert/Desktop/amber12//lib/libsff_mpi.a
> >> ar: binpos.o: No such file or directory
> >> make[2]: *** [libsff_mpi] Error 1
> >> make[2]: Leaving directory
> >> `/home/albert/Desktop/amber12/AmberTools/src/sff'
> >> make[1]: *** [parallel] Error 2
> >> make[1]: Leaving directory `/home/albert/Desktop/amber12/AmberTools/src'
> >> make: *** [install] Error 2
> >>
> >> _______________________________________________
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> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
>
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Apr 27 2012 - 13:30:03 PDT
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