<div dir="ltr">We've already observed it (and I think I saw it for some cuda8 combination too); addd more information to <a href="http://redmine.gromacs.org/issues/2311">http://redmine.gromacs.org/issues/2311</a> if you find it.<div><br></div><div>Gromacs works great with Cuda-9. For now you can just disable GMX_USE_NVML in CMake.</div><div><br></div><div>Cheers,</div><div><br></div><div>Erik</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Dec 1, 2017 at 11:20 AM, Jochen Hub <span dir="ltr"><<a href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Update: This happens only with Cuda 9, but not with Cuda 8.<br>
<br>
(Changing the gcc version does not help.)<br>
<br>
Did you test Gromacs 2018 with Cuda 9?<br>
<br>
Thanks,<br>
Jochen<br>
<br>
Am 30.11.17 um 17:10 schrieb Jochen Hub:<div class="HOEnZb"><div class="h5"><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi all,<br>
<br>
first of all, thank you for the great work on gmx 2018. The speedup and the the PME/GPU implementations are fabulous!!<br>
<br>
During linking, I get<br>
<br>
[100%] Linking CXX executable ../../bin/template<br>
../../lib/libgromacs.so.3.0.0: undefined reference to `nvmlDeviceGetPciInfo_v3'<br>
<br>
The cuda/nvidia-related cmake output are:<br>
<br>
-- Looking for NVIDIA GPUs present in the system<br>
-- Number of NVIDIA GPUs detected: 2<br>
-- Found CUDA: /cm/shared/apps/cuda90/toolkit<wbr>/9.0.176 (found suitable version "9.0", minimum required is "6.5")<br>
-- Found NVML: /cm/shared/apps/cuda90/toolkit<wbr>/9.0.176/lib64/stubs/libnvidia<wbr>-ml.so<br>
-- 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_TA<wbr>RGET_COMPUTE.<br>
<br>
This is on an Intel Xeon system with GTX 1070, gcc 6.3, Cuda 9.0, Scientific Linux 7.3.<br>
<br>
Can you give me a hint how to fix this, or is this a bug?<br>
<br>
Thank you,<br>
Jochen<br>
<br>
</blockquote>
<br>
-- <br>
------------------------------<wbr>---------------------<br>
Dr. Jochen Hub<br>
Computational Molecular Biophysics Group<br>
Institute for Microbiology and Genetics<br>
Georg-August-University of Göttingen<br>
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.<br>
Phone: <a href="tel:%2B49-551-39-14189" value="+495513914189" target="_blank">+49-551-39-14189</a><br>
<a href="http://cmb.bio.uni-goettingen.de/" rel="noreferrer" target="_blank">http://cmb.bio.uni-goettingen.<wbr>de/</a><br>
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