Re: [AMBER] Compilation errors

From: Jason Swails <>
Date: Sun, 12 Feb 2017 21:37:39 -0500

On Sun, Feb 12, 2017 at 9:06 PM, Sudhakar Lakkaraju <>

> Hi,
> I'm getting the following error while compiling amber 16 with MPT and GCC.
> Error! Could not link C++ mpi code using mpi fortran linker:
> "mpif90 -lmpicxx -lstdc++"
> [C++ / fortran / MPI] cross-linking is needed for cuda_parallel and EMIL
> builds.
> Try: "mpif90 -show"
> Configure failed due to the errors above!
> asninstall.uv:amber16> mpif90 -show
> gfortran -I/opt/sgi/mpt/mpt-2.15/include -I/opt/sgi/mpt/mpt-2.15/include
> -lpthread /usr/lib64/ /usr/lib64/
> -L/opt/sgi/mpt/mpt-2.15/lib -lmpi
> How do I tunoff CUDA and get past this error?

​Just don't turn CUDA *on* (you need to request -cuda to do a CUDA build).

> Note:- Compilation goes through if I compile with "-noemil" option.

​The information message was just that EMIL and CUDA both require
cross-linking C++ and F90 binaries (which for some reason isn't working
with your system). If -noemil works, that's all you need to do.


Jason M. Swails
AMBER mailing list
Received on Sun Feb 12 2017 - 19:00:02 PST
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