Re: [gmx-users] WG: Issue with CUDA and gromacs

2019-02-27 Thread Tafelmeier, Stefanie
-Ursprüngliche Nachricht- Von: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] Im Auftrag von Szilárd Páll Gesendet: Donnerstag, 31. Januar 2019 17:15 An: Discussion list for GROMACS users Betreff: Re: [gmx-users] WG: Issue with

Re: [gmx-users] WG: Issue with CUDA and gromacs

2019-02-25 Thread Tafelmeier, Stefanie
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Re: [gmx-users] WG: Issue with CUDA and gromacs

2019-01-31 Thread Szilárd Páll
On Thu, Jan 31, 2019 at 2:14 PM Szilárd Páll wrote: > > On Wed, Jan 30, 2019 at 5:15 PM Tafelmeier, Stefanie > wrote: > > > > Dear all, > > > > We are facing an issue with the CUDA toolkit. > > We tried several combinations of gromacs versions and CUDA Toolkits. No > > Toolkit older than 9.2 was

Re: [gmx-users] WG: Issue with CUDA and gromacs

2019-01-31 Thread Szilárd Páll
On Wed, Jan 30, 2019 at 5:15 PM Tafelmeier, Stefanie wrote: > > Dear all, > > We are facing an issue with the CUDA toolkit. > We tried several combinations of gromacs versions and CUDA Toolkits. No > Toolkit older than 9.2 was possible to try as there are no driver for nvidia > available for a Q

Re: [gmx-users] WG: Issue with CUDA and gromacs

2019-01-30 Thread Benson Muite
t.sys.kth.se] Im Auftrag von Benson Muite Gesendet: Mittwoch, 30. Januar 2019 18:13 An: gmx-us...@gromacs.org<mailto:gmx-us...@gromacs.org> Betreff: Re: [gmx-users] WG: Issue with CUDA and gromacs What is your cmake build command? Have you tried to specify compute capabilities? http://

Re: [gmx-users] WG: Issue with CUDA and gromacs

2019-01-30 Thread pbuscemi
, Stefanie Sent: Wednesday, January 30, 2019 11:30 AM To: gmx-us...@gromacs.org Subject: Re: [gmx-users] WG: Issue with CUDA and gromacs To your question: For the trials with newer Gromacs >2016 versions we simply use (as I understood it is not necessary to target the 6.1 with this versions) cm

Re: [gmx-users] WG: Issue with CUDA and gromacs

2019-01-30 Thread Tafelmeier, Stefanie
-- Von: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] Im Auftrag von Benson Muite Gesendet: Mittwoch, 30. Januar 2019 18:13 An: gmx-us...@gromacs.org Betreff: Re: [gmx-users] WG: Issue with CUDA and gromacs What is your cmake build c

Re: [gmx-users] WG: Issue with CUDA and gromacs

2019-01-30 Thread Benson Muite
What is your cmake build command? Have you tried to specify compute capabilities? http://manual.gromacs.org/documentation/2019/install-guide/index.html#cuda-gpu-acceleration GMX_CUDA_TARGET_SM=6.1 GMX_CUDA_TARGET_COMPUTE=6.1 References: https://developer.nvidia.com/cuda-gpus https://www.myzh

[gmx-users] WG: Issue with CUDA and gromacs

2019-01-30 Thread Tafelmeier, Stefanie
Please excuse, the tables didn't work, I hope this is better: Dear all, We are facing an issue with the CUDA toolkit. We tried several combinations of gromacs versions and CUDA Toolkits. No Toolkit older than 9.2 was possible to try as there are no driver for nvidia available for a Quadro

[gmx-users] WG: Issue with CUDA and gromacs

2019-01-30 Thread Tafelmeier, Stefanie
Dear all, We are facing an issue with the CUDA toolkit. We tried several combinations of gromacs versions and CUDA Toolkits. No Toolkit older than 9.2 was possible to try as there are no driver for nvidia available for a Quadro P6000. Gromacs CUDA Error message 2019 10.0 gmx mdrun: Assertio