Share a log file please so we can see the hardware detected, command line
options, etc.
--
Szilárd
On Sun, May 5, 2019 at 3:53 AM Maryam wrote:
> Hello Reza
> Yes I complied it with GPU and the version of CUDA is 9.1. Any suggestions?
> Thanks.
>
> On Sat., May 4, 2019, 1:45 a.m. Reza
Hello Reza
Yes I complied it with GPU and the version of CUDA is 9.1. Any suggestions?
Thanks.
On Sat., May 4, 2019, 1:45 a.m. Reza Esmaeeli,
wrote:
> Hello Maryam,
> Have you compiled the gromacs 2019 with GPU?
> What version of CUDA do you have?
>
> - Reza
>
> On Saturday, May 4, 2019, Maryam
Hello Maryam,
Have you compiled the gromacs 2019 with GPU?
What version of CUDA do you have?
- Reza
On Saturday, May 4, 2019, Maryam wrote:
> Dear all,
> I want to run a simulation in gromacs 2019 on a system with 1 gpu and 32
> threads. I write this command: gmx mdrun -s md.tpr -v -nb gpu but
Dear all,
I want to run a simulation in gromacs 2019 on a system with 1 gpu and 32
threads. I write this command: gmx mdrun -s md.tpr -v -nb gpu but it seems
it does not recognize gpus and it takes long for the simulation to reach
its end (-ntmpi ntomp and nt seem not working either). In gromacs
