[gmx-users] mistake occured in Gromacs install

Mark Abraham mark.j.abraham at gmail.com
Thu Oct 17 10:04:21 CEST 2013


You do need a C compiler, not a Fortran one, and IIRC gcc 4.6.2 has some
known issues. Please follow the instructions in the install guide and get
the latest compiler you can.

Mark
On Oct 17, 2013 8:30 AM, "张海平" <21620101152465 at stu.xmu.edu.cn> wrote:

> Dear professor:
>   When I install the Gromacs software, there occured a problem as
> follow(my computer is 64bit,linux, gcc is GNU Fortran (GCC) 4.6.2):
>
>
> "[ZHP at console build]$  cmake .. -DGMX_BUILD_OWN_FFTW=ON
> -- No compatible CUDA toolkit found (v3.2+), disabling native GPU
> acceleration
> CMake Warning at CMakeLists.txt:744 (message):
>   No C SSE4.1 flag found.  Consider a newer compiler, or use SSE2 for
>   slightly lower performance
>
>
> CMake Error at CMakeLists.txt:767 (message):
>   Cannot find smmintrin.h, which is required for SSE4.1 intrinsics support.
>
>
> -- Configuring incomplete, errors occurred!
> "
> I don't know how to solve it. Hope your reply soon.
>
> Best regards
> Haiping Zhang
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