[gmx-users] compile error

Albert mailmd2011 at gmail.com
Fri Apr 26 20:27:13 CEST 2013


it works very well now.

thanks a lot

On 04/26/2013 08:01 PM, Szilárd Páll wrote:
> You got a warning at configure-time that the nvcc host compiler can't
> be set because the mpi compiler wrapper are used. Because of this,
> nvcc is using gcc to compile CPU code whick chokes on the icc flags.
> You can:
> - set CUDA_HOST_COMPILER to the mpicc backend, i.e. icc or
> - let cmake detect MPI and use simply CC=icc CXX=icpc cmake
> -DGMX_MPI=ON (in this case the normal compiler are used and*if*  cmake
> can detect the MPI libs it will not need the wrappers).
> Cheers,
> --
> Szilárd

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