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

[Aleksei Iupinov]

Hello Jochen,

This is clearly a bug. You should be able to side-step this for now by
passing -DGMX_USE_NVML=OFF to cmake. We did test CUDA 9 builds, but not
very extensively. I cannot reproduce this issue just yet, so more details
wouldn't hurt (such as submitting CMakeCache.txt at
https://redmine.gromacs.org/issues/2311).

Best regards,
Aleksei


On Thu, Nov 30, 2017 at 5:10 PM, Jochen Hub <jhub at gwdg.de> wrote:

> 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
>
> --
> ---------------------------------------------------
> 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
> <https://maps.google.com/?q=Justus-von-Liebig-Weg+11,+37077+G%C3%B6ttingen,+Germany&entry=gmail&source=g>
> .
> Phone: +49-551-39-14189
> http://cmb.bio.uni-goettingen.de/
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