-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
ule' failed
make[1]: *** [CMakeFiles/check.dir/rule] Error 2
Makefile:626: recipe for target 'check' failed
make: *** [check] Error 2
----------------------
-Ursprüngliche Nach
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
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
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://
,
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
--
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
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
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
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
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