[gmx-users] Make errors 2019rc1

Paul bauer paul.bauer.q at gmail.com
Sat Dec 15 11:06:02 CET 2018


Hello,

I just confirmed this, and opened an issue on Redmine 
(https://redmine.gromacs.org/issues/2809).
I guess we will try to fix it and roll a different release candidate 
after that.

Thanks for reporting the issue!

Paul

On 14/12/2018 20:53, Raymond Arter wrote:
> Paul,
>
> The CMake and system configuration are:
>
> OS:   Scientific Linux 6.6
> CPU: Intel(R) Xeon(R) CPU E5-2630 v2 @ 2.60GHz
> RAM: 32829272 kB
>
> python = 2.7.10
> cuda = 9.2.148
> gcc = 7.3.0
> cmake = 3.9.0
> binutils = 2.31
>
> Nvidia driver version: 396.37
> GPU: 4x Tesla K10.G2.8GB
>
> cmake .. -DGMX_BUILD_OWN_FFTW=ON
>          -DGMX_DOUBLE=OFF
>          -DGMX_OPENMP=ON
>          -DGMX_GPU=ON
>          -DCUDA_TOOLKIT_ROOT_DIR=/opt/apps/libs/cuda/9.2.148
>          -DGMX_SIMD=AVX_256
> -DCMAKE_INSTALL_PREFIX=/opt/apps/general/gromacs/2019rc1/float/gcc/7.3.0/cuda/9.2.148 
>
>          -DREGRESSIONTEST_DOWNLOAD=ON
>
> Thanks for the quick reply.
>
> Kind regards,
>
> Ray
>
>
>
>
> On 14/12/2018 17:37, Paul Bauer wrote:
>> Hello,
>>
>> Can you send your CMake command and system configuration?
>>
>> Cheers
>>
>> Paul
>>
>> On Fri, 14 Dec 2018, 18:27 Raymond Arter <raymondarter at gmail.com wrote:
>>
>>> Hi,
>>>
>>> I'm seeing the following errors at the end of the make step:
>>>
>>> [100%] Linking CXX executable ../../bin/template
>>> /opt/apps/general/binutils/2.31/bin/ld: ../../lib/libgromacs.so.4.0.0:
>>> undefined reference to `gmx_fft_destroy(gmx_fft*)'
>>> /opt/apps/general/binutils/2.31/bin/ld: ../../lib/libgromacs.so.4.0.0:
>>> undefined reference to `gmx_fft_init_1d(gmx_fft**, int, int)'
>>> /opt/apps/general/binutils/2.31/bin/ld: ../../lib/libgromacs.so.4.0.0:
>>> undefined reference to `gmx_fft_init_1d_real(gmx_fft**, int, int)'
>>> /opt/apps/general/binutils/2.31/bin/ld: ../../lib/libgromacs.so.4.0.0:
>>> undefined reference to `gmx_fft_2d_real(gmx_fft*, gmx_fft_direction, 
>>> void*,
>>> void*)'
>>> /opt/apps/general/binutils/2.31/bin/ld: ../../lib/libgromacs.so.4.0.0:
>>> undefined reference to `gmx_fft_init_2d_real(gmx_fft**, int, int, int)'
>>> /opt/apps/general/binutils/2.31/bin/ld: ../../lib/libgromacs.so.4.0.0:
>>> undefined reference to `gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*,
>>> void*)'
>>> /opt/apps/general/binutils/2.31/bin/ld: ../../lib/libgromacs.so.4.0.0:
>>> undefined reference to `gmx_fft_cleanup()'
>>> /opt/apps/general/binutils/2.31/bin/ld: ../../lib/libgromacs.so.4.0.0:
>>> undefined reference to `gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, 
>>> void*,
>>> void*)'
>>> collect2: error: ld returned 1 exit status
>>> make[2]: *** [bin/template] Error 1
>>> make[1]: *** [share/template/CMakeFiles/template.dir/all] Error 2
>>> make: *** [all] Error 2
>>>
>>> I'm compiling Gromacs in the same way as 2019beta2 and 3, and I 
>>> didn't see
>>> these errors.
>>> Am I making a silly mistake or is it something else?
>>>
>>> Regards.
>>> -- 
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>



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