Comsol 作业脚本示例

#!/bin/bash
#SBATCH -J COMSOL    ##作业名
#SBATCH -p kshctest   ##队列名
#SBATCH -N 1   ##节点数
#SBATCH -n 30 ##进程数
#SBATCH --ntasks-per-node=30   ##每节点进程数
#SBATCH --cpus-per-task=1   ##每进程占用核数
#SBATCH --exclusive    ##独占节点
#SBATCH --mem=110G   ##每节点内存限制
#SBATCH -o %j.out   ##标准输出
#SBATCH -e %j.err   ##错误日志

date

WDIR=`pwd`       ##获取当前脚本所在路径
cd $WDIR           ##进入文件夹

APP="/public/home/liucheng/app/COMSOL/comsol55/multiphysics/bin/comsol"   ##软件安装路径
INPUTFILE=$WDIR/1test.mph    ##所要计算的mph文件
OUTPUTFILE=$WDIR/output$SLURM_JOB_ID.mph    
LOGFILE=$WDIR/job$SLURM_JOB_ID.log     ##求解日志
##################################################################

##################获取节点列表
NP=$SLURM_NPROCS
NNODE=`srun hostname |sort |uniq | wc -l` 
LOG_FILE=$WDIR/job_${NP}c_${NNODE}n_$SLURM_JOB_ID.log 
HOSTFILE=$WDIR/hosts_$SLURM_JOB_ID
srun hostname |sort |uniq -c |awk '{printf "%s:%s\n",$2,$1}' > $HOSTFILE


##################intelmpi相关参数
export I_MPI_FABRICS=shm:dapl
export I_MPI_DAPL_UD=enable
export I_MPI_FALLBACK_DEVICE=disable
export I_MPI_DEBUG=0
export I_MPI_PIN=enable
export I_MPI_ADJUST_REDUCE=2
export I_MPI_ADJUST_ALLREDUCE=2
export I_MPI_ADJUST_BCAST=1
export I_MPI_PLATFORM=auto
export I_MPI_DAPL_SCALABLE_PROGRESS=1
export I_MPI_DAPL_UD_PROVIDER=ofa-v2-mlx5_0-1u
export I_MPI_PIN_DOMAIN=core

mkdir tmp$SLURM_JOB_ID

#################程序正式调用命令
$APP batch -usebatchlic -mpibootstrap slurm -inputfile ${INPUTFILE} -outputfile ${OUTPUTFILE} -batchlog ${LOGFILE} -blas mkl -prefermph  -mpidebug 10  -tmpdir "$WDIR/tmp$SLURM_JOB_ID"    -prefsdir  "$WDIR/tmp$SLURM_JOB_ID"