Hi,
You can get significantly better performance if you use a more recent
GROMACS version (>=2018) to pick up the improvements to GPU
acceleration (see
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26011 Fig 7, top
group of bars), but 300 ns/day on a single machine is unlikely with
your
whoops ---not moo ( iphone took over ) but mpi….
> On Aug 2, 2019, at 5:09 PM, Paul Buscemi wrote:
>
> Why run moo on a single node ?
>
> PB
>
>> On Aug 1, 2019, at 5:53 PM, Mark Abraham wrote:
>>
>> Hi,
>>
>> We can't tell whether or what the problem is without more information.
>>
Hi Paul
How can I run it on multiple nodes?
Thanks
On Fri., Aug. 2, 2019, 6:10 p.m. Paul Buscemi, wrote:
> Why run moo on a single node ?
>
> PB
>
> > On Aug 1, 2019, at 5:53 PM, Mark Abraham
> wrote:
> >
> > Hi,
> >
> > We can't tell whether or what the problem is without more information.
>
Why run moo on a single node ?
PB
> On Aug 1, 2019, at 5:53 PM, Mark Abraham wrote:
>
> Hi,
>
> We can't tell whether or what the problem is without more information.
> Please upload your .log file to a file sharing service and post a link.
>
> Mark
>
>> On Fri, 2 Aug 2019 at 01:05, Maryam
Hi Mark
here is the link to md.log:
https://www.dropbox.com/s/4fuu5g68nwwzys4/MD.log?dl=0
Thank you!
On Thu, Aug 1, 2019 at 6:54 PM Mark Abraham
wrote:
> Hi,
>
> We can't tell whether or what the problem is without more information.
> Please upload your .log file to a file sharing service and
Hi,
We can't tell whether or what the problem is without more information.
Please upload your .log file to a file sharing service and post a link.
Mark
On Fri, 2 Aug 2019 at 01:05, Maryam wrote:
> Dear all
> I want to run a simulation of approximately 12000 atoms system in gromacs
> 2016.6 on
