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

[Erik Lindahl]

We've already observed it (and I think I saw it for some cuda8 combination
too); addd more information to http://redmine.gromacs.org/issues/2311 if
you find it.

Gromacs works great with Cuda-9. For now you can just disable GMX_USE_NVML
in CMake.

Cheers,

Erik

On Fri, Dec 1, 2017 at 11:20 AM, Jochen Hub <jhub at gwdg.de> wrote:

> 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
>>
>>
> --
> ---------------------------------------------------
> 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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-- 
Erik Lindahl <erik.lindahl at dbb.su.se>
Professor of Biophysics, Dept. Biochemistry & Biophysics, Stockholm
University
Science for Life Laboratory, Box 1031, 17121 Solna, Sweden
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