#!/bin/bash #SBATCH --partition=xadhtest #SBATCH --job-name=pwmat #SBATCH --nodes=1 #SBATCH --gres=dcu:4 #SBATCH --exclusive ulimit -a ulimit -s unlimited ulimit -l unlimited ulimit -a module purge module load pwmat/20240223-magma-DCU2-intelmpi-2021 mpirun -np 4 PWmat -host 10.13.5.14 50001 | tee output
sbatch pwmat.sh # 上面脚本文件名为 pwmat.sh
sbatch: error: Batch job submission failed: Invalid account
or account/partition combination specified
队列指定不正常, 上面例子指定的是 #SBATCH –partition=xadhtest
在命令行执行sinfo