[gmx-users] mail about installation og gromacs 4.6.1

Mark Abraham mark.j.abraham at gmail.com
Mon Oct 3 08:42:14 CEST 2016


Hi,

If you feel you must install software that is three years old and no longer
supported, please at least get the latest bug-fix version of it (4.6.7).
You should consider carefully one of the more recent, faster and less buggy
versions.

I can't tell what your problem is, but my guess is that you are installing
as root, which is a bad idea. Follow the install guides, which make clear
that you only need root privileges for the final "make install" step.

Mark

On Sat, Oct 1, 2016 at 3:29 PM subramanian vidhyasankar <svsquery at gmail.com>
wrote:

> Respected justin
>                  Thank you for your previous reply
> I would like to install gromacs 4.6.1 single precession for some reason
> when i use the following command
> cmake .. -DGMX_BUILD_OWN_FFTW=ON   -DCMAKE_INSTALL_PREFIX=/opt/gromacs
>
> it sucessfully configures
>
> But when i* complile using make command *
>
> it shows error as follows
>
>
>
>
>
>
>
>
>
>
> *CMake Error at gpu_utils_generated_memtestG80_core.cu.o.Release.cmake:207
> (message):  Error generating
>
> /root/gromacs-4.6.7/build/src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir//./gpu_utils_generated_memtestG80_core.cu.omake[2]:
> ***
>
> [src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/gpu_utils_generated_memtestG80_core.cu.o]
> Error 1make[1]: *** [src/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/all]
> Error 2make: *** [all] Error 2*
>
>
>
> *plase help me to install single precession *
>
> *with high regards*
>
> *S.Vidhyasankar*
> --
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