I'd like to ask you something:
I have this script:
#!/bin/bash
#SBATCH -N76
#SBATCH --ntasks-per-node=4
#SBATCH --cpus-per-task=8
#SBATCH --time=24:00:00
#SBATCH --gres=gpu:4
#SBATCH --account=IscrC_GROMODEX
#SBATCH --partition=boost_usr_prod
#SBATCH --output=remd.out
#SBATCH --error=remd.err
#SBATCH --mail-type=ALL
#SBATCH --mail-user=***
#SBATCH --job-name=REMD
#load gromacs module
module load profile/chem-phys
module load spack
module load gromacs/2021.7--openmpi--4.1.4--gcc--11.3.0-cuda-11.8
export OMP_NUM_THREADS=8
mpirun -np 4 gmx_mpi mdrun -s remd -multidir remd* -replex 500 -nb gpu -ntomp 8 -pin on -reseed -1 -maxh 24
This is for a REMD simulation using GROMACS software (molecular dynamics).
I receive this error whan I run "sbatch nome_file.sh"
-> sbatch: error: Batch job submission failed: Node count specification invalid
Can you help me?