[gmx-users] Error in gromacs-5.1 installation

Szilárd Páll pall.szilard at gmail.com
Thu Oct 1 16:05:46 CEST 2015


Hi,

Can you please open an issue on redmine.gromacs.org and attach your
CMakeCache.txt file to the issue.

To work around the issue, you'll likely have to disable NVML support which
ATM requires removing all lines that start with "NVML_" from your
CMakeCache file.

Cheers,

--
Szilárd

On Tue, Sep 29, 2015 at 8:33 AM, Venkat Reddy <venkat4bt at gmail.com> wrote:

> Dear all,
> We have a GPU workstation populated with four C2075 cards. I have
> previously installed and used Gromacs-5.04 without any problem. But when I
> tried to install Gromacs-5.1 version, "make" command is terminating with
> the following error:
>
> /home/dynamix/Downloads/gromacs-5.1/src/gromacs/gmxlib/gpu_utils/
> gpu_utils.cu(360): error: identifier
> "NVML_RESTRICTED_API_SET_APPLICATION_CLOCKS" is undefined
>
> /home/dynamix/Downloads/gromacs-5.1/src/gromacs/gmxlib/gpu_utils/
> gpu_utils.cu(360): error: identifier "nvmlDeviceGetAPIRestriction" is
> undefined
>
> 2 errors detected in the compilation of
> "/tmp/tmpxft_00002f84_00000000-12_gpu_utils.compute_35.cpp1.ii".
> CMake Error at libgromacs_generated_gpu_utils.cu.o.cmake:266 (message):
>   Error generating file
>
>
> /home/dynamix/Downloads/gromacs-5.1/build/src/gromacs/CMakeFiles/libgromacs.dir/gmxlib/gpu_utils/./libgromacs_generated_gpu_utils.cu.o
>
> make[2]: ***
>
> [src/gromacs/CMakeFiles/libgromacs.dir/gmxlib/gpu_utils/libgromacs_generated_gpu_utils.cu.o]
> Error 1
> make[2]: *** Waiting for unfinished jobs....
> make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
> make: *** [all] Error 2
>
> Thanks for your concern
>
> --
> With Best Wishes
> Venkat
> --
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