Hello:
I am trying to compile Amber MPI version with command:
env CC=mpicc CXX=mpicxx F77=mpif90 FC=mpif90 LDF90=mpif90 ./configure
-mpi intel
but it failed with messages:
MKL_HOME set to /soft/intel/composer_xe_2013.5.192/mkl/
Configuring fftw-3.3 (may be time-consuming)...
Error: FFTW configure returned 1
FFTW configure failed! Check the fftw3_config.log file
in the /home/albert/install/amber14//AmberTools/src directory.
Configure failed due to the errors above!
here is something about fftw3_config.log file:
checking whether the icc -std=gnu99 linker (/usr/bin/ld -m elf_x86_64)
supports shared libraries... yes
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... mpicc
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
thx
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Received on Wed Jul 15 2015 - 03:00:03 PDT
