Anvil的设置 这样直接是并行不会丢失速度 用 srun 就行 #!/bin/bash # Copy/paste this job script into a text file and submit with the command: # sbatch thefilename # job standard output will go to the file slurm-%j.out (where %j is the job ID) #SBATCH -A mat240069 #SBATCH -p wholenode # the default queue is "wholenode" queue #SBATCH --time=00:10:00 # walltime limit (HH:MM:SS) #SBATCH --nodes=4 # number of nodes #SBATCH --cpus-per-task=1 #SBATCH --ntasks=512 # #SBATCH --job-name="lmp" #SBATCH -o out%j # Name of stdout output file #SBATCH -e err%j # Name of stderr error file #SBATCH --mail-user=kluo@iastate.edu #SBATCH --mail-type=all # Send email to above address at begin and end of job export OMP_NUM_THREADS = 1 export TF_INTRA_OP_PARALLELISM_THREADS = 1 export TF_INTER_OP_PARALLELISM_THREADS = 1 source ~/.bashrc { source /anvil/projects/x-phy220096/kluo/Mg/dis18/lmp2210.sh ; } #srun --mpi=pmi2 -n 128 lmp < in.elastic sru...