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

Brad Van Oosten bv07ay at brocku.ca
Tue Aug 6 19:05:18 CEST 2013

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
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,

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