[gmx-users] Make errors 2019rc1

[Raymond Arter]

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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