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

Jochen Hub jhub at gwdg.de
Thu Nov 30 17:10:45 CET 2017

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 

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: 
-- 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 

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,

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

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