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 <raymondar...@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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