On Mar 9, 2012, at 5:34 PM, Andrew Petersen <aapeters.ncsu.edu> wrote:
>
> I am trying to compile Amber11 with Intel 12 compilers, RHEL 6.2 operating
> system. Both AmberTools1.5 and Amber11 bugfixes were applied. The make
> serial works (./configure intel), if I remove the -std=c++0x flag from
> AmberTools/src/configure.
>
> However "make parallel" fails (./configure -mpi intel) with the error:
> mpif90 -c -ip -O3 -xHost -FR -o state.o _state.f
> gfortran: language Host not recognized
> ....
Indeed, it is essential that mpi be compiled with the same compilers as you want to use for Amber. My recommendation is to use the configure_mpich2 (or configure_openmpi) scripts in $AMBERHOME/Ambertools/src. This will ensure that you have the correct compiler and other settings. Be sure to set MPI_HOME to $AMBERHOME, and have $AMBERHOME/bin in your PATH.
...dac
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Received on Fri Mar 09 2012 - 18:00:03 PST
