[AMBER] intel MPI failed

From: Albert <mailmd2011.gmail.com>
Date: Mon, 8 Aug 2016 15:40:54 +0200

Hello:

I am trying to compile Amber with command line:

./configure -intelmpi intel

But it failed with messages:

//////////////////////////////////////////////////////////////////
checking whether -lc should be explicitly linked in... no
checking dynamic linker characteristics... GNU/Linux ld.so
checking how to hardcode library paths into programs... immediate
checking whether stripping libraries is possible... yes
checking if libtool supports shared libraries... yes
checking whether to build shared libraries... yes
checking whether to build static libraries... yes
checking for ocamlbuild... no
checking for mpicc... mpiicc
checking for MPI_Init... no
checking for MPI_Init in -lmpi... no
checking for MPI_Init in -lmpich... no
configure: error: could not find mpi library for --enable-mpi
//////////////////////////////////////////////////////////////////

I have configured my csh with the following information:

setenv MKL_HOME /soft/intel/compilers_and_libraries_2016.3.210/linux/mkl
source
/soft/intel/compilers_and_libraries_2016.3.223/linux/mpi/intel64/bin/mpivars.csh
source /soft/intel/bin/compilervars.csh intel64
setenv LD_LIBRARY_PATH
/soft/intel/compilers_and_libraries_2016.3.223/linux/mpi/lib64:/usr/local/cuda/lib64:/soft/intel/lib/intel64:/soft/intel/lib/ia32:/soft
/intel/mkl/lib/intel64:/soft/intel/mkl/lib/ia32:{$LD_LIBRARY_PATH}

>which mpirun
/soft/intel/compilers_and_libraries_2016.3.210/linux/mpi/intel64/bin/mpirun
>which mpicc
/soft/intel/compilers_and_libraries_2016.3.223/linux/mpi/intel64/bin/mpicc
> mpicc -show
gcc
-I/soft/intel/compilers_and_libraries_2016.3.210/linux/mpi/intel64/include
-L/soft/intel/compilers_and_libraries_2016.3.210/linux/mpi/intel64/lib/release_mt
-L/soft/intel/compilers_and_libraries_2016.3.210/linux/mpi/intel64/lib
-Xlinker --enable-new-dtags -Xlinker -rpath -Xlinker
/soft/intel/compilers_and_libraries_2016.3.210/linux/mpi/intel64/lib/release_mt
-Xlinker -rpath -Xlinker
/soft/intel/compilers_and_libraries_2016.3.210/linux/mpi/intel64/lib
-Xlinker -rpath -Xlinker /opt/intel/mpi-rt/5.1/intel64/lib/release_mt
-Xlinker -rpath -Xlinker /opt/intel/mpi-rt/5.1/intel64/lib -lmpifort
-lmpi -lmpigi -ldl -lrt -lpthread

I am just wondering how can we solve the problem?

Thank you very much.

Albert





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Received on Mon Aug 08 2016 - 07:00:02 PDT
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