请求大神帮助~拜托拜托。
之前让朋友帮忙编译了个VASP在超算上面，是PBS管理系统的，但是我利用提交命令一直在排队，也不要到错误在哪里 ，，，我看网上输入qstat -f jobid查看了，也不明白错误怎么改，请求大神帮帮忙
这是我的vasp.pbs
[Zhaohq@mu02 vaspnewtest]$ vi vasp.pbs
#!/bin/bash
#PBS -q PUBLIC
#PBS -l walltime=100:00:00
#PBS -S /bin/bash
#PBS -l nodes=1:ppn=16
#PBS -m abe
#PBS -N Ga2SSem12
###PBS -o test4.out
###PBS -e test4.err
echo $PBS_O_WORKDIR
export PATH=/public/software/openmpi-intel/bin PATH
export LD_LIBRARY_PATH=/public/software/openmpi-intel/lib:/public/software/intel/composer_xe_2015.1.133/mkl/lib/intel64LD_LIBRARY_PATH
source /public/software/intel/composer_xe_2015.1.133/bin/ifortvars.sh intel64
source /public/software/intel/composer_xe_2015.1.133/bin/iccvars.sh intel64
source /public/software/intel/composer_xe_2015.1.133/mkl/bin/intel64/mklvars_intel64.sh
EXE=~/bin/vasp_std
#/public/home/zhaohan/bin/vasp.5.3-optcell/vasp
cd $PBS_O_WORKDIR
cat $PBS_NODEFILE
NP=`wc -l $PBS_NODEFILE | awk '{ print $1 }'`
cat $PBS_NODEFILE | awk '{n++; if(n%24==0) print $1 }' > ./machines
/public/software/openmpi-intel/bin/mpirun -machinefile $PBS_O_WORKDIR/machines -np $NP $EXE >out
echo '--------------Job ends at----------------------------'
date "+%k:%M:%S %b-%m-%Y"
echo '-----------------------------------------------------'
这是我输入qstat -f出来的东东。
[Zhaohq@mu02 ~]$ qstat 1509550.mu01
Job ID Name User Time Use S Queue
------------------------- ---------------- --------------- -------- - -----
1509550.mu01 tests Zhaohq 0 Q taihezi
[Zhaohq@mu02 ~]$ qstat -f 1509550.mu01
Job Id: 1509550.mu01
Job_Name = tests
Job_Owner = Zhaohq@mu02
job_state = Q
queue = taihezi
server = mu01
Checkpoint = u
ctime = Thu Oct 11 17:23:52 2018
Error_Path = mu02:/public/home/Zhaohq/lyz/gra/tests.e1509550
Hold_Types = n
Join_Path = oe
Keep_Files = n
Mail_Points = a
mtime = Thu Oct 11 17:23:52 2018
Output_Path = mu02:/public/home/Zhaohq/lyz/gra/tests.o1509550
Priority = 0
qtime = Thu Oct 11 17:23:52 2018
Rerunable = True
Resource_List.nodect = 8
Resource_List.nodes = 8
Resource_List.walltime = 9999:00:00
Variable_List = PBS_O_QUEUE=taihezi,PBS_O_HOME=/public/home/Zhaohq,
PBS_O_LOGNAME=Zhaohq,
PBS_O_PATH=/public/software/intel/bin:/public/software/intel/advisor_
xe_2015.1.10.380555/bin64:/public/software/intel/vtune_amplifier_xe_20
15.1.1.380310/bin64:/public/software/intel/inspector_xe_2015.1.2.37916
1/bin64:/public/software/intel//impi/5.0.2.044/intel64/bin:/public/sof
tware/intel//itac/9.0.2.045/intel64/bin:/public/software/intel/compose
r_xe_2015.1.133/bin/intel64:/public/software/intel/composer_xe_2015.1.
133/debugger/gdb/intel64_mic/bin:/public/home/Zhaohq/bin:/usr/java/jre
1.8.0_121/bin:/usr/java/jre1.8.0_121/bin:/public/software/tsce4/maui/s
bin:/public/software/tsce4/maui/bin:/public/software/tsce4/torque6/bin
:/public/software/tsce4/torque6/sbin:/usr/local/bin:/usr/lib64/qt-3.3/
bin:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:.:/public/home/Z
haohq/.local/bin:/public/home/Zhaohq/bin,
PBS_O_MAIL=/var/spool/mail/Zhaohq,PBS_O_SHELL=/bin/bash,
PBS_O_LANG=en_US.UTF-8,
PBS_O_SUBMIT_FILTER=/public/software/tsce4/torque6/bin/submitfilter.s
h,PBS_O_WORKDIR=/public/home/Zhaohq/lyz/gra,PBS_O_HOST=mu02,
PBS_O_SERVER=mu01
euser = Zhaohq
egroup = Zhaohq
queue_type = E
etime = Thu Oct 11 17:23:52 2018
submit_args = vasp.pbs
fault_tolerant = False
job_radix = 0
submit_host = mu02
request_version = 1
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发表于 2018-10-24 11:58:01
楼主