Re: [AMBER] amber 12 with intel compiler failed

From: Albert <mailmd2011.gmail.com>
Date: Fri, 27 Apr 2012 22:13:04 +0200

Dear Jason:
   thank you very much for kind reply.
   I am using intel mpi and I've set the following:

setenv MPI_HOME /opt/intel/composer_xe_2011_sp1.9.293/mpirt

thank you very much


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


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Received on Fri Apr 27 2012 - 13:30:02 PDT
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