晨天有你 发表于 2021-11-8 15:35:08

使用vaspkit报错qsub:submit error

您好!

   队列系统可以正常qsub提交作业,但是用vaspkit功能都会报错qsub: submit error (Job exceeds queue resource limits MSG=cannot locate feasible nodes (nodes file is empty, all systems are busy, or no nodes have the requested feature)),谢谢!
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vaspkit 发表于 2021-11-8 15:59:37

核实~/.vaspkit文件中作业脚本设置是否正确

#BEGIN_CUSTOMIZE_JOB_SCRIPT
#PBS -N name
#PBS -o out
#PBS -e err
#PBS -l nodes=2:ppn=4               
#PBS -r y
cd $PBS_O_WORKDIR
mpirun -np 8 vasp_std > vasp-out
#END_CUSTOMIZE_JOB_SCRIPT


注意红色的部分更换成自己服务器上的作业脚本设置。

晨天有你 发表于 2021-11-9 11:14:31

本帖最后由 晨天有你 于 2021-11-9 11:16 编辑

非常感谢您的回复,如按照您的建议设置,仍然出现相同的问题!(之前未设置这~./vaspkit脚本段是可正常运行的,昨天突然冒出错误提示,导致无法使用vaspkit)。 盼回复建议,谢谢!
#BEGIN_CUSTOMIZE_JOB_SCRIPT
#!/bin/bash
#PBS -q batch
#PBS -o /tmp
#PBS -e /tmp
#PBS -N Beta-test      
##PBS -m e
#PBS -l nodes=1:ppn=2
#PBS -l walltime=2400:00:00
#source /opt/environments/setenv-vasp
source /opt/intel/mkl/bin/mklvars.sh intel64
NP=`cat ${PBS_NODEFILE} | wc -l`
cd $PBS_O_WORKDIR
logfile=$(date +%Y-%m-%d-%H%M%S).txt
mpirun -hostfile $PBS_NODEFILE -np $NP vasp > ${logfile} 2>&1
#END_CUSTOMIZE_JOB_SCRIPT

vaspkit 发表于 2021-11-10 14:09:07

在.vaspkit文件中设置AUTO_SUBMIT_JOB=   .FALSE., 不自动提交作业。
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查看完整版本: 使用vaspkit报错qsub:submit error