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
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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Received on Mon May 07 2012 - 12:30:02 PDT
