Hi,
gmx can only detect devices that are visible to it. Your use of slurm is
making only one device visible, so gmx can't understand what you mean with
-gpu_id 1. But you don't need to manage the same thing twice. If gmx can
only see one device and --gres won't allocate a previously allocated gpu,
I had the misconception that I have to set gpuid by CUDA_VISIBLE_DEVICES
set by slurm.
However, slurm exposes the gpu for gromacs by a different mechanism.
On 11/13/19 4:55 PM, Tamas Hegedus wrote:
Hi,
I run gmx 2019 using GPU
There are 4 GPUs in my GPU hosts.
I have slurm and configured gres=
Hi,
I run gmx 2019 using GPU
There are 4 GPUs in my GPU hosts.
I have slurm and configured gres=gpu
1. If I submit a job with --gres=gpu:1 then GPU#0 is identified and used
(-gpu_id $CUDA_VISIBLE_DEVICES).
2. If I submit a second job, it fails: the $CUDA_VISIBLE_DEVICES is 1
and selected, but
