[gmx-users] Re: cygwin_mpi_gmx installation

Szilárd Páll szilard.pall at cbr.su.se
Fri Apr 12 20:20:48 CEST 2013

On Fri, Apr 12, 2013 at 3:45 PM, 라지브간디 <rajiv at kaist.ac.kr> wrote:
> Thanks for your answers. I have uninstalled the mpi, have also reinstalled the CUDA and got the same issue. As you have mentioned before I noticed that it struggle to detect the CUDA.

Do you mean that you reconfigured without MPI and with CUDA? You don't
need to uninstall anything to enable/disable configuration options,
just clean your build directory and rerun CMake in it.

> Can cygwin recognize the CUDA installed in win 7? if so, how do i link them ?

Good question, I've no idea whether it can as I myself have never
built GROMACS with CUDA on cygwin neither have I heard of anyone else
do that. What I can safely state is that the native Win builds with
non-cygwin CMake and MSVC as a compiler do work with with a variety of
generators: nmake, ninja, and VS.

However, it would be very useful to know whether/how it is possible to
detect CUDA with CMake a build GROMACS with GPU acceleration on
cygwin. Perhaps someone else on the list with more cygwin experience
could help out with tips or even try to build with CUDA.

> The default installation path of CUDA in win 7 could be C:\Program Files\NVIDIA GPU Computing Toolkit\CUDA
> If I am correct, it should be like
> cmake .. -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=C:\Program Files\NVIDIA GPU Computing Toolkit\CUDA

The whitespaces will need special treatment, AFAIR putting quotes
around the path (or simply copying the directory to C:\CUDA) should
work. Alternatively, you could try to put nvcc in your path, than
CMake should be able to do the path handling magic.

> Kindly give me your suggestion. Thanks in advance.
> Subject: Re: [gmx-users] cygwin_mpi_gmx installation
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID:
> <CANnYEw7Aq+strLpgC5nx7k9oENer5KOA--ajGUe6CN7zJRfVeA at mail.gmail.com>
> Content-Type: text/plain; charset=UTF-8
> Indeed it's strange. In fact, it seems that CUDA detection did not
> even run, there should be a message whether it found the toolkit or
> not just before the "Enabling native GPU acceleration" - and the
> enabling should not even happen without CUDA detected.
> Unrelated, but do you really need MPI with cygwin? Unless you are
> planning to run on multiple Windows machines, the default thread-MPI
> parallelization is enough to use multiple cores!
> Cheers,
> --
> Szil��rd
> On Fri, Apr 12, 2013 at 1:04 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
>> That looks really strange. CMake claims to detect CUDA but the right
>> variables are not set.
>> 1) Can you reproduce this in a clean build directory?
>> 2) If so, what CUDA is present?
>> Mark
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