Hi, On Fri, Jun 24, 2016 at 3:16 PM <[email protected]> wrote:
> I have spend the past week trying to figure out how to compile GROMACS for > windows. I spend a lot of time on the web and everyone pointed to the use > of cygwin for building in windows. > Unless you can find "CUDA supports cygwin" on the internet, then you're starting something that can't succeed. I was pursuing the email list and found a thread which brought up my issue > with enabling GPU acceleration. The thread name was Re: cygwin_mpi_gmx > installation April 2013. Anyway, the thread mentions that there are some > issues of compatibility with CUDA and Cygwin but the wasn't any clear > conclusions made. My question is that since this thread was posted has a > solution to the issue been determined. I can't tell, since you didn't share a link, but probably it's never worked. Use the CUDA-supported compiler on Windows, ie MSVC. Mark > Bellow I will post my procedure. > > > 1. cmake /cygdrive/c/gromacs-5.1.1 -DREGRESSIONTEST_DOWNLOAD=ON > -DGMX_GPU=OFF -DGMX_SIMD=SSE2 > 2. make -jg > 3. make check > 1. Mmake install > 2. ssource /usr/local/gromacs/bin/GMXRC > cd /cygdrive/c/gromacs-5.1.1/build/tests/regressiontests-5.1.1 > ./gmxtest.pl all > Mkdir mdrun_build > cmake /cygdrive/c/gromacs-5.1.1 -DGMX_GPU=ON -DGMX_BUILD_MDRUN_ONLY=ON > -DGMX_SIMD=SSE2 > -DCUDA_TOOLKIT_ROOT_DIR=/cygdrive/c/NVIDIA_GPU_Computing_Toolkit/CUDA/v7.5/bin/nvcc > > HERE is the first few output lines > > -- The C compiler identification is GNU 4.9.3 > -- The CXX compiler identification is GNU 4.9.3 > -- Check for working C compiler: /usr/bin/cc > -- Check for working C compiler: /usr/bin/cc -- works > -- Detecting C compiler ABI info > -- Detecting C compiler ABI info - done > -- Detecting C compile features > -- Detecting C compile features - done > -- Check for working CXX compiler: /usr/bin/c++.exe > -- Check for working CXX compiler: /usr/bin/c++.exe -- works > -- Detecting CXX compiler ABI info > -- Detecting CXX compiler ABI info - done > -- Detecting CXX compile features > -- Detecting CXX compile features - done > -- Looking for NVIDIA GPUs present in the system > -- Could not detect NVIDIA GPUs > -- Could NOT find CUDA (missing: CUDA_CUDART_LIBRARY) (found suitable > version "7.5", minimum required is "4.0") > -- Could NOT find NVML (missing: NVML_LIBRARY NVML_INCLUDE_DIR) > > Thanks in advance, > > > > > Timothy Dubbs > email: [email protected] > phone:(502)-852-0500 > University of Louisville > Chemical Engineering- Graduate Research Assistant > "Great works are performed not by strength but by perseverance" -Sam > Johnson > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
