e is 90 ns/day. However,
> when I don't assign the GPU but let all GPU work by:
> >gmx mdrun -v -deffnm md
> > The simulation performance is only 2 ns/day.
> >> So what is correct command to make a full use of all GPUs and achieve
> the best performance (which I expect should be much higher than 90 ns/da
Hello Szilárd Páll
Thank you for you reply. I tried your command:
gmx mdrun -ntmpi 7 -npme 1 -nb gpu -pme gpu -bonded gpu -gpuid 0,2,4,6
-gputask 001122334
but got the following error information:
Using 7 MPI threads
Using 10 OpenMP threads per tMPI thread
Program: gmx mdrun, versi
> only one GPU)? Could you give me further suggestions and help?
>> Best regards,
> Yeping
----------
From:孙业平
Sent At:2019 Sep. 5 (Thu.) 07:12
To:gromacs ; Mark Abraham
Cc:gromacs.org_gmx-users
Subject:Re: [gmx-users] Th
s and help?
>
> Best regards,
> Yeping
>
> ----------------------
> From:Mark Abraham
> Sent At:2019 Sep. 4 (Wed.) 19:10
> To:gromacs ; 孙业平
> Cc:gromacs.org_gmx-users
> Subject:Re: [gmx-users] The problem of utilizing mult
romacs.org_gmx-users
Subject:Re: [gmx-users] The problem of utilizing multiple GPU
Hi,
On Wed, 4 Sep 2019 at 12:54, sunyeping wrote:
Dear everyone,
I am trying to do simulation with a workstation with 72 core and 8 geforce
1080 GPUs.
72 cores, or just 36 cores each with two hyperthreads? (it
Hi,
On Wed, 4 Sep 2019 at 12:54, sunyeping wrote:
> Dear everyone,
>
> I am trying to do simulation with a workstation with 72 core and 8 geforce
> 1080 GPUs.
>
72 cores, or just 36 cores each with two hyperthreads? (it matters because
you might not want to share cores between simulations, whi
Dear everyone,
I am trying to do simulation with a workstation with 72 core and 8 geforce 1080
GPUs.
When I do not assign a certain GPU with the command:
gmx mdrun -v -deffnm md
all GPUs are used and but the utilization of each GPU is extremely low (only
1-2 %), and the simulation will be
