Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

OK, perfect, once the GPU is available (I'll kick the student ...) I 'll post reports of the results, to have a better description of what happens. Thanks for the short code, it will help! Cheers, Stéphane Le 22/04/2016 21:58, Szilárd Páll a écrit : Actually, here's a small program I hacked

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

Actually, here's a small program I hacked up that will help diagnose such issues; you'll find the instructions and explanation of the expected output in the header of the file: https://github.com/pszi1ard/playground/blob/master/check-cuda-drv-runtime.cu Cheers, -- Szilárd On Fri, Apr 22, 2016

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

Stéphane, Don't get me wrong, I don't think anyone was angry at your post - I certainly was not. On the contrary, describing this (rather annoying) problem and suggesting a solution is of good use for the GROMACS community -- and CUDA application user community in general. However, it is

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

Le 22/04/2016 14:33, Szilárd Páll a écrit : Additionally, I suggest amending the post to note that the GDK and NVML that's picked up from it is optional and it is only useful with Quadro/Tesla cards. Dear Szilárd, I hope I'll find time to produce a proper bug report, but using the Ubuntu

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

On Thu, Apr 21, 2016 at 11:39 PM, Téletchéa Stéphane < stephane.teletc...@univ-nantes.fr> wrote: > Le 21/04/2016 03:54, treinz a écrit : > >> Hi, >> >> >> Can you also explain why the function calls to cudaDriverGetVersion() and >> cudaRuntimeGetVersion() both return 0, as in >> >>> >>CUDA

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

Le 22/04/2016 01:50, treinz a écrit : cudaGetDeviceCount returned 35 -> CUDA driver version is insufficient for CUDA runtime version Result = FAIL Unfortunately for any machine installed by now the setup is now as described, and works. There is one machine were this setup was not updated

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

Hi Stéphane, Did you see the following or similar output from running /path/to/cuda/samples/1_Utilities/deviceQuery/deviceQuery when GROMACS wasn't able to detect GPU? ./deviceQuery Starting... CUDA Device Query (Runtime API) version (CUDART static linking) cudaGetDeviceCount returned

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

On Thu, Apr 21, 2016 at 3:54 AM, treinz wrote: > Hi, > > > Can you also explain why the function calls to cudaDriverGetVersion() and > cudaRuntimeGetVersion() both return 0, as in Not really, but it is the normal behavior on hosts where the runtime is not compatible with the

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

Hi, Can you also explain why the function calls to cudaDriverGetVersion() and cudaRuntimeGetVersion() both return 0, as in >> CUDA driver:0.0 >> CUDA runtime: 0.0 Thanks, Tim At 2016-04-21 08:49:17, "Szilárd Páll" wrote: >On Thu, Apr 21, 2016 at 12:22 AM,

Re: [gmx-users] gromacs 5.1.2 mdrun can't detect GPU

On Thu, Apr 21, 2016 at 12:22 AM, treinz wrote: > Hi all, > > > I recently built 5.1.2 with GPU support and the config options are: > > > module load cuda/7.5.18 > cmake .. -DCMAKE_C_COMPILER=gcc-4.9 \ > -DCMAKE_CXX_COMPILER=g++-4.9 \ > -DGMX_MPI=OFF \ >

[gmx-users] gromacs 5.1.2 mdrun can't detect GPU

Hi all, I recently built 5.1.2 with GPU support and the config options are: module load cuda/7.5.18 cmake .. -DCMAKE_C_COMPILER=gcc-4.9 \ -DCMAKE_CXX_COMPILER=g++-4.9 \ -DGMX_MPI=OFF \ -DGMX_THREAD_MPI=ON \ -DGMX_GPU=ON \