[gmx-developers] 2018-beta1: undefined reference to `nvmlDeviceGetPciInfo_v3'

[Jochen Hub]

Update: This happens only with Cuda 9, but not with Cuda 8.

(Changing the gcc version does not help.)

Did you test Gromacs 2018 with Cuda 9?

Thanks,
Jochen

Am 30.11.17 um 17:10 schrieb Jochen Hub:
> Hi all,
> 
> first of all, thank you for the great work on gmx 2018. The speedup and 
> the the PME/GPU implementations are fabulous!!
> 
> During linking, I get
> 
> [100%] Linking CXX executable ../../bin/template
> ../../lib/libgromacs.so.3.0.0: undefined reference to 
> `nvmlDeviceGetPciInfo_v3'
> 
> The cuda/nvidia-related cmake output are:
> 
> -- Looking for NVIDIA GPUs present in the system
> -- Number of NVIDIA GPUs detected: 2
> -- Found CUDA: /cm/shared/apps/cuda90/toolkit/9.0.176 (found suitable 
> version "9.0", minimum required is "6.5")
> -- Found NVML: 
> /cm/shared/apps/cuda90/toolkit/9.0.176/lib64/stubs/libnvidia-ml.so
> -- Enabling single compilation unit for the CUDA non-bonded module. 
> Multiple compilation units are not compatible with CC 2.x devices, to 
> enable the feature specify only CC >=3.0 target architectures in 
> GMX_CUDA_TARGET_SM/GMX_CUDA_TARGET_COMPUTE.
> 
> This is on an Intel Xeon system with GTX 1070, gcc 6.3, Cuda 9.0, 
> Scientific Linux 7.3.
> 
> Can you give me a hint how to fix this, or is this a bug?
> 
> Thank you,
> Jochen
> 

-- 
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Dr. Jochen Hub
Computational Molecular Biophysics Group
Institute for Microbiology and Genetics
Georg-August-University of Göttingen
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
Phone: +49-551-39-14189
http://cmb.bio.uni-goettingen.de/
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