[gmx-users] Re: Gromacs 4.6.3 installation Issue with Intel & CUDA

[Brad Van Oosten]

I have just successfully installed 4.6.3 using Intel compilers this morning
with the following:

Intel 12.1.3
cuda 5.0.35
openmpi 1.6.2
cmake 2.8.10.2
FFTW 3.3.3

I did not use gcc at all. (intel/12.1.3/icc/bin/icc  for CUDA_HOST_COMPILER)

Hope it helps,
Brad



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