On Mon, May 7, 2012 at 3:09 PM, Albert <mailmd2011.gmail.com> wrote:
> hello:
> the intel compiler still doesn't work in my system for Amber 12 MPI,
> but it goes well for Amber 12 series. here is what I done:
>
> 1. install intel compiler and configure the csh in the terminal;
>
> set CC=icc
> set CXX=icpc
> set F77=ifort
> set FC=ifort
> set F90=ifort
> set mpiCC=icc
> set mpicc=icc
> set cc=icc
> set cxx=icpc
> set f77=ifort
> set fc=ifort
>
These are not setting environment variables, just shell variables.
Therefore, they're probably not inherited by the configure shell. Try
setting them directly on the configure line for MPICH2 (NOT amber):
./configure CC=icc CXX=icpc F77=ifort FC=ifort --prefix=/soft/mpich2
make && make install
If it's still trying to use GCC, that means you've done something wrong in
the configure process of mpich2...
HTH,
Jason
>
> source /soft/intel/bin/compilervars.csh intel64
> source /soft/intel/bin/compilervars.sh intel64
> setenv MKL_HOME /soft/intel/mkl
> set MPI_HOME /soft/mpich2
> setenv LD_LIBRARAY_PATH
>
> /soft/intel/mkl/lib/intel64:/soft/intel/lib/intel64:/usr/local/cuda/lib64:/usr/local/lib:/usr/lib64:/usr/lib
>
> 2. install mpich2 by command:
> ./configure -prefix=/soft/mpich2
> make
> make install
>
> 3. install Amber12 series:
> ./configure intel
> make install
>
> 4. install Amber12 MPI:
> ./configure -mpi intel
> make install
>
> And I got the following log file:
>
> : language Host not recognized
> gcc: language Host not recognized
> gcc: sff.c: linker input file unused because linking not done
> rm -f /soft/amber12/lib/libsff_mpi.a
> ar rv /soft/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 /soft/amber12/lib/libsff_mpi.a
> ar: binpos.o: No such file or directory
> make[2]: *** [libsff_mpi] Error 1
> make[2]: Leaving directory `/soft/amber12/AmberTools/src/sff'
> make[1]: *** [parallel] Error 2
> make[1]: Leaving directory `/soft/amber12/AmberTools/src'
> make: *** [install] Error 2
>
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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 Mon May 07 2012 - 13:00:02 PDT
