Re: [gmx-users] GPU problem with running gromacs.2018

rom the list. > > - > > > Your mail to 'gromacs.org_gmx-users' with the subject > > Re: [gmx-users] GPU problem with running gromacs.2018 > > Is being held until the list moderator can review it for approval. > > The reason it is being held: > > Message body is to

Re: [gmx-users] GPU problem with running gromacs.2018

Hi, When I send the full log I received this mail from the list. - Your mail to 'gromacs.org_gmx-users' with the subject Re: [gmx-users] GPU problem with running gromacs.2018 Is being held until the list moderator can review it for approval. The reason

Re: [gmx-users] GPU problem with running gromacs.2018

Hi, Indeed, this is an issue introduced in the 2018 release which aborts mdrun if an error is encountered during GPU detection; My first guess is that one of your GPUs is in exclusive or prohibited mode. You can use mdrun by skipping that GPU, i.e. setting the CUDA_VISIBLE_DEVICES environment

Re: [gmx-users] GPU problem with running gromacs.2018

This is the output with gromacs 2018 and cuda 9 ---Program: gmx mdrun, version 2018Source file: src/gromacs/gpu_utils/gpu_utils.cu (line 735)Function:void findGpus(gmx_gpu_info_t*) Assertion failed:Condition: cudaSuccess ==

Re: [gmx-users] GPU problem with running gromacs.2018

lt;gmx-us...@gromacs.org> Subject: Re: [gmx-users] GPU problem with running gromacs.2018 Date: Thu, 15 Feb 2018 18:23:51 +0100 PS: Also, what you pasted in here states "2016.4", but your subject claims version 2018 -- Szilárd On Thu, Feb 15, 2018 at 6:23 PM, Szilárd Páll <pall

Re: [gmx-users] GPU problem with running gromacs.2018

PS: Also, what you pasted in here states "2016.4", but your subject claims version 2018 -- Szilárd On Thu, Feb 15, 2018 at 6:23 PM, Szilárd Páll wrote: > Please provide a full log file output. > -- > Szilárd > > > On Thu, Feb 15, 2018 at 6:11 PM, Osmany Guirola Cruz >

Re: [gmx-users] GPU problem with running gromacs.2018

Please provide a full log file output. -- Szilárd On Thu, Feb 15, 2018 at 6:11 PM, Osmany Guirola Cruz wrote: > Hi > > I am having problems running mdrun command compiled with GPU > support(cuda 9.0). > here is the output of the mdrun command > >

[gmx-users] GPU problem with running gromacs.2018

Hi I am having problems running mdrun command compiled with GPU support(cuda 9.0). here is the output of the mdrun command Using 1 MPI thread Using 4 OpenMP threads 1 compatible GPU is present, with ID 0 1 GPU auto-selected for this run. Mapping of GPU ID to the 1 PP rank in