[gmx-users] NVML does not come separate starting from Cuda 8.0

[Mark Abraham]

Hi,

There already is an applicable Redmine (
https://redmine.gromacs.org/issues/2061). Ake's observations agreed with
two CUDA 8.0 installs I checked, so it looks like CUDA 8.0 acquired the
header and stub library, but the driver package still has the real library.
We can't really / shouldn't try to check for the latter at cmake time, but
we should document something. We should also let the find module work with
cuda 8.

For now, I suggest hacking with

cmake -DNVML_FOUND=1
-DNVML_LIBRARY=/your/driver/path/x86_64-linux-gnu/libnvidia-ml.so
-DNVML_INCLUDE_DIR=/your/cuda/8/include

Mark

On Fri, May 12, 2017 at 1:50 PM Åke Sandgren <ake.sandgren at hpc2n.umu.se>
wrote:

> CUDA 8.0.61_375_26 does not contain the actual NVML lib, only stubs.
> And NVML is still separate from the CUDA package as far as i can see.
>
> The libnvidia-ml.so in <CUDA>/lib64/stubs is much smaller than the
> actual library.
>
> On 05/12/2017 01:11 PM, Szilárd Páll wrote:
> > Mat,
> >
> > Thanks for the report. I was under the impression that this should have
> > "just worked" given that NVML is now in the toolkit, but if it does not,
> we
> > should look into it.
> >
> > Can you please, file an issue on redmine.gromacs.org (with reproducing
> > steps).
> >
> > Cheers,
> >
> > --
> > Szilárd
> >
> > On Fri, May 12, 2017 at 12:08 PM, Mat B <bieniekmat at gmail.com> wrote:
> >
> >> CUDA starting from the version 8.0 is not separated from the NVML
> library
> >> any more, and cannot be downloaded independently. NVML is part of the
> >> toolkit. However, the documentation requires the
> >> GPU_DEPLOYMENT_KIT_ROOT_DIR to find NVML.
> >>
> >> I have tried setting the variable to multiple combinations including the
> >> CUDA directories, nvidia driver directory and their subdirectories to no
> >> avail. At the same time the CUDA toolkit directory contains a single
> NVML
> >> code example which I can compile and run successfully.
> >>
> >> Can you advice me on how to configure gromacs to use NVML? Right now I
> am
> >> ending up with the message:
> >> -- Could NOT find NVML (missing:  NVML_LIBRARY)
> >> CMake Error at cmake/gmxManageGPU.cmake:176 (message):
> >>   NVML support was required, but was not detected.  Please consult the
> >>   install guide.
> >> Call Stack (most recent call first):
> >>   CMakeLists.txt:214 (include)
> >>
> >>
> >> Thanks,
> >> Mateusz Bieniek
> >> --
> >> Gromacs Users mailing list
> >>
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>
> --
> Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
> Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 <090-786%2061%2034>
> Fax: +46 90-580 14 <090-580%2014>
> Mobile: +46 70 7716134 <070-771%2061%2034> WWW: http://www.hpc2n.umu.se
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