Re: [AMBER] amber 12 with intel compiler failed

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 27 Apr 2012 15:41:17 -0400

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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
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 - 13:00:04 PDT
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