Re: [gmx-users] Gromacs 2018.5 with CUDA

-Original Message- From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se On Behalf Of Szilárd Páll Sent: Thursday, January 31, 2019 7:06 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Gromacs 2018.5 with CUDA On Wed, Jan 30, 2019 at 5:14 PM wrote: > >

Re: [gmx-users] Gromacs 2018.5 with CUDA

Message- > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > On Behalf Of Benson Muite > Sent: Wednesday, January 30, 2019 10:05 AM > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Gromacs 2018.5 with CUDA > > Hi, > > Do you get the same build errors

Re: [gmx-users] Gromacs 2018.5 with CUDA

On Wed, Jan 30, 2019 at 4:56 PM Владимир Богданов wrote: > > HI, > > Yes, I think, because it seems to be working with nam-cuda right now: Of course, because in the meantime you upgraded your driver. NAMD, or in fact any program that uses CUDA 9.2 will _not_ run with drivers incompatible with tha

Re: [gmx-users] Gromacs 2018.5 with CUDA

On Wed, Jan 30, 2019 at 7:37 AM Владимир Богданов < bogdanov-vladi...@yandex.ru> wrote: > Hey everyone! > > I need help, please. When I try to run MD with GPU I get the next error: > > Command line: > > gmx_mpi mdrun -deffnm md -nb auto > > > > Back Off! I just backed up md.log to ./#md >

Re: [gmx-users] Gromacs 2018.5 with CUDA

ately from the PPA repository. Paul -Original Message- From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se On Behalf Of Benson Muite Sent: Wednesday, January 30, 2019 10:05 AM To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Gromacs 2018.5 with CUDA Hi, Do you get the same build e

Re: [gmx-users] Gromacs 2018.5 with CUDA

Hi, Do you get the same build errors with Gromacs 2019? What operating system are you using? What GPU do you have? Do you have a newer version of version of GCC? Benson On 1/30/19 5:56 PM, Владимир Богданов wrote: HI, Yes, I think, because it seems to be working with nam-cuda right now: We

Re: [gmx-users] Gromacs 2018.5 with CUDA

HI, Yes, I think, because it seems to be working with nam-cuda right now: Wed Jan 30 10:39:34 2019   +-+| NVIDIA-SMI 390.77 Driver Version: 390.77    ||---+---

Re: [gmx-users] Gromacs 2018.5 with CUDA

Hi, Does nvidia-smi report that your GPUs are available to use? Mark On Wed, 30 Jan 2019 at 07:37 Владимир Богданов wrote: > Hey everyone! > > I need help, please. When I try to run MD with GPU I get the next error: > > Command line: > > gmx_mpi mdrun -deffnm md -nb auto > > > > Back Off! I ju

[gmx-users] Gromacs 2018.5 with CUDA

Hey everyone! I need help, please. When I try to run MD with GPU I get the next error: Command line:gmx_mpi mdrun -deffnm md -nb autoBack Off! I just backed up md.log to ./#md.log.4#NOTE: Detection of GPUs failed. The API reported:GROMACS cannot run tasks on a GPU.Reading file md.tpr, VERSION 2018.