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Comment: Adds commands to monitors GPU usage


Code Block
#SBATCH --account=commons
#SBATCH --partition=commons
#SBATCH --nodes=1
#SBATCH --ntasks=1
#SBATCH --export=ALL
#SBATCH --gres=gpu
module load foss/2020b OpenMM

Checking usage

In order to determine if your process is running correctly, in each cluster you can connect directly to each compute server while you are running the file with ssh. Then use the command top to check the CPU and memory usage, rocm-smi to check the GPU usage for AMD/RADEON GPUs and nvidia-smi to check the GPU usage for NVIDIA GPUs,

Remote access to the clusters