How to get maximum efficiency for GROMACS GPU calculation – User discussions

GROMACS version:GROMACS 2020.4-GPU
GROMACS modification: Yes/No

Hi,
I am new for GROMACS, and doing 100ps NVT equilibration of a glycated SARS-CoV2 spike protein in explicit water (total number of atoms 674050). Below is my bash script:

#!/bin/csh
#SBATCH -o slurm.%N.%j.out
#SBATCH -e slurm.%N.%j.err
#SBATCH -p dhvi-md-gpu
#SBATCH –gres=gpu:1

module load GROMACS/2020-4-GPU

gmx_mod grompp -f eq_nvt-SARS.mdp -c eq_npt-SARS.gro -r eq_npt-SARS.gro -p topol.top -o eq_nvt-SARS.tpr -maxwarn 28 -n index.ndx
gmx_mod mdrun -nb gpu -deffnm eq_nvt-SARS

and below is time taken to finish above job:

           Core t (s)   Wall t (s)        (%)
   Time:    26885.277     2444.177     1100.0
                     40:44
             (ns/day)    (hour/ns)

Performance: 3.535 6.789

Even though using GPU, speed of calculation is very low, and I want to increase the speed.
Anyone please suggest how I can use the maximum efficiency of GPU calculation.

Thanks

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