Re: [gmx-users] Gomacs and multiple GPU

Hi, Others software doesn't assist the user as gromacs, they don't use CUDA_VISIBLE without an action by the user (with an option, or a specific environnement variable), in case the use this variable they wrote a bit more information, like what they detect and will be used. So i was convince

Re: [gmx-users] Gomacs and multiple GPU

Hi, Welcome! > Thank for you reply. Yes, i have read them and know them. I use them will success with other software. BTW, what did you refer to here? It seems like you were focused on figuring out the detection issue and might have ignored my other recommendations on using multi (which

Re: [gmx-users] Gomacs and multiple GPU

Hi, You solve my problem, Thank you. The variable CUDA_VISIBLE_DEVICES is set up by the scheduler at the running time of my job. So after adding commandline "unset $CUDA_VISIBLE_DEVICES" in my script, mdrun detect and use both GPUs. Thank you for your patience. Cheers, Alexis On 01/12/16

Re: [gmx-users] Gomacs and multiple GPU

Hi, Do any other programs, e.g. CUDA SDK samples (like deviceQuery) detect both GPUs? I find it *very-very* unlikely that only mdrun would not be able detect both GPUs. Again, are you sure it's not the use of CUDA_VISIBLE_DEVICES that creates the confusion? Please share your full command line

Re: [gmx-users] Gomacs and multiple GPU

Hi, Thank for you reply. Yes, i have read them and know them. I use them will success with other software. My first and main problem is mdrun doesn't see the second GPU on the system. And i try to find the root cause of and the remediation. Hardware is a bi xeon with 2 Titan-xp GPU, so my goal

Re: [gmx-users] Gomacs and multiple GPU

Alexis, What is the problem? Have you read the relevant docs of what CUDA_VISIBLE_DEVICES does? https://docs.nvidia.com/cuda/cuda-c-programming-guide/#env-vars BTW, you can use, but you *do not need* CUDA_VISIBLE devices to control the mapping of GPU(s) to mdrun process, the -gpu_id variable

Re: [gmx-users] Gomacs and multiple GPU

Hi, thank you for your answer the Cmdline is: gmx mdrun -deffnm nvt I played a bit with option -gpu_id, use $CUDA_VISIBLE_DEVICES and read the page http://www.gromacs.org/GPU_acceleration without any succes. One output is in nvt.log.11, nvidia-smi returs is in nvidia-smi.log Nvidia-smi

Re: [gmx-users] Gomacs and multiple GPU

Hi, On Wed, Nov 30, 2016 at 5:38 PM Alexis Michon wrote: > Hello, > > We have build gromacs 2016.1 from source with "DMX_GPU=on" on a bi > processor bi GPU machine, mdrun detect and run fine on only 1 GPU. How > could we force mdrun to detect the second GPU ? > If it's

Re: [gmx-users] Gomacs and multiple GPU

Hi, It would be better if you provide more details such as the mdrun command and log file etc. -- 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