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脚本中语句整理

时间:2022-09-24 04:33:38 脚本 我要投稿
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脚本中语句整理

一、三个节点

172.20.130.2 pengqiong pengqiong@123

202.197.234.149 linjin lijin*120384

202.197.234.6 node6work2 nohup sh run.sh

二、脚本投任务

172.20.130.2中脚本,开头固定格式如下: #PBS -N MoSi2 #(名称)

#PBS -l nodes=1:ppn=32

#PBS -j oe

#PBS -q middle

#PBS -l walltime=1000:00:00

cd $PBS_O_WORKDIR

NP=`cat $PBS_NODEFILE|wc -l`

source /public/software/http://www.oh100.com

for i in 0.05 0.07 0.08 0.09 0.1 0.11 0.12 0.13 0.14 0.15

do

cp POSCAR $i/ cd $i/

cat>>INCAR<<! ISPIN=2

!

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh > log cd ..

done

cd /public/home/pengqiong/MoSi2/C11b-stable/7/2/scf/scf/ chmod 777 vasp.pbs

qusb vasp.pbs

for i in NoH H HH

do mkdir $i/

cp INCAR* KPOINTS* $i/ cp POSCAR$i $i/POSCAR

cp POTCAR$i $i/POTCAR

cd $i/

mkdir relax/

cp INCARrelax KPOINTS POTCAR POSCAR relax/

cd relax/

cp INCARrelax INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh cp CONTCAR ../POSCAR

cd ..

cp INCARscf INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh

mkdir dos/

cp INCARdos KPOINTS POTCAR POSCAR CHGCAR dos/

cd dos/

cp INCARdos INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh cd ..

mkdir bands1/

cp INCARbands KPOINTSbands1 POTCAR POSCAR CHGCAR bands1/

cd bands1/

cp KPOINTSbands1 KPOINTS

cp INCARbands INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh cd ..

mkdir bands2/

cp INCARbands KPOINTSbands2 POTCAR POSCAR CHGCAR bands2/

cd bands2/

cp KPOINTSbands2 KPOINTS

cp INCARbands INCAR

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mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh cd ..

mkdir bands3/

cp INCARbands KPOINTSbands3 POTCAR POSCAR CHGCAR bands3/

cd bands3/

cp KPOINTSbands3 KPOINTS

cp INCARbands INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh cd ..

cd ..

done

for i in HH H NoH

do

cd $i/

mkdir berry/

cp INCARberry KPOINTSberry POTCAR POSCAR CHGCAR berry/

cd berry/

cp INCARberry INCAR

cp KPINTSberry KPOINTS

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh >logberry cd ..

cd ..

done

for i in 7 8 9 10 11 12 13 14 15 16 17 18 19 20

do

mkdir $i

cp INCAR POTCAR POSCAR $i/

cd $i/ cat>KPOINTS<<! A

0 G

$i $i 1

!

time -p /home/lijin/software/openmpi/openmpi_install/bin/mpirun -np 1 vasp5.3 | dateify.sh >logscf

E=`grep TOTEN OUTCAR | tail -1 | cut -c28-45`

Mag=`grep mag vasp.log | cut -c 70-80` printf " %18.16f %18.16f\n" $E $Mag >>../dat cd ..

done

cp INCARscf INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh>logscf

mkdir dos/

cp INCARdos KPOINTS POTCAR POSCAR CHGCAR dos/

cd dos/

cp INCARdos INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj |/public/software/vasp/date_lj.sh>logdos cd ..

mkdir bands1/

cp INCARbands KPOINTSbands1 POTCAR POSCAR CHGCAR bands1/

cd bands1/

cp KPOINTSbands1 KPOINTS

cp INCARbands INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj|/public/software/vasp/date_lj.sh>logbands1 cd ..

mkdir bands2/

cp INCARbands KPOINTSbands2 POTCAR POSCAR CHGCAR bands2/

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cd bands2/

cp KPOINTSbands2 KPOINTS

cp INCARbands INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj|/public/software/vasp/date_lj.sh>logbands2 cd ..

mkdir bands3/

cp INCARbands KPOINTSbands3 POTCAR POSCAR CHGCAR bands3/

cd bands3/

cp KPOINTSbands3 KPOINTS

cp INCARbands INCAR

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp_lj|/public/software/vasp/date_lj.sh>logbands3

cd ..

cd ..

done

#PBS -N vasp #PBS -l nodes=1:ppn=32

#PBS -j oe

#PBS -q middle

#PBS -l walltime=1000:00:00

cd $PBS_O_WORKDIR

NP=`cat $PBS_NODEFILE|wc -l`

source /public/software/http://www.oh100.com

mpirun -machinefile $PBS_NODEFILE -np $NP --bind-to-core /public/software/vasp/vasp52 >&vasp.log

Ncpu=16

vaspname=vasp5.2

for i in 7 8 9 10 11 12 13 14 15 16

do mkdir $i/

cp INCAR POSCAR POTCAR $i/ cd $i/ cat>>KPOINTS<<!

A 0

G

$i $i 1

0 0 0

!

time -p mpirun -np $Ncpu $vaspname >log

E=`grep TOTEN OUTCAR |tail -1 |cut -c32-42`

Mag=`grep mag= log |tail -1 |cut -c68-85`

echo $i $Mag $E >>../total.dat

cp CONTCAR ../POSCAR$i

cd ..

Done

for i in 13 14 15

do

#-----------no magnetic----------

mkdir NM/

cp INCAR* POSCAR POTCAR NM/

cd NM/

mkdir $i/

cp INCAR* POSCAR POTCAR $i/

cd $i/

cp INCARrelax INCAR cat>KPOINTS<<! A

G

$i $i 1

0.0 0.0 0.0

!

time -p mpirun -np 16 vasp5.2 >logrelax

cp INCARscf INCAR

cp CONTCAR POSCAR

time -p mpirun -np 16 vasp5.2 >logscf

cd ..

cd ..

done

for i in 12 13 14 15

do

#----------Ferro magnetic---------

mkdir FM/

cp INCAR* POTCAR POSCAR FM/

cd FM/

mkdir $i/

cp INCAR* POTCAR POSCAR $i/

cd $i/

cp INCARrelax INCAR

cat>>INCAR<<!

ISPIN=2

!

cat>KPOINTS<<!

A

G

$i $i 1

0.0 0.0 0.0

!

time -p mpirun -np 16 vasp5.2 >logrelax

cp INCARscf INCAR

cat>>INCAR<<!

ISPIN=2

!

cp CONTCAR POSCAR

time -p mpirun -np 16 vasp5.2 >logscf

cd ..

cd ..

done

cd /home/node6work2/PQ/for/5*5/ chmod 777 run.sh

nohup sh run.sh

for n in $(seq 1 8)

do

echo $n

/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $n vasp5.3 | dateify.sh

t=`grep "Total CPU" OUTCAR |awk '{print $6}'`

echo $n $t >>test_p.dat

done

for((j=0;j<21;j++))

do for((i=0;i<21;i++))

do jj=`echo "scale=8.8;$j/20"|bc` ii=`echo "scale=8.8;$i/20"|bc`

cat>>KPOINTSber<<!

$ii $jj 0.00000000 1.00 !

done

done

for i in 7 8 9 10 11 12 13 14 15 16 17 18 19 20 do

mkdir $i cp INCAR POTCAR POSCAR $i/

cd $i/

cat>KPOINTS<<!

A

G

$i $i 1

!

time -p /home/lijin/software/openmpi/openmpi_install/bin/mpirun -np 1 vasp5.3 | dateify.sh >logscf E=`grep TOTEN OUTCAR | tail -1 | cut -c28-45`

Mag=`grep mag vasp.log | cut -c 70-80`

printf " %18.16f %18.16f\n" $E $Mag >>../dat

cd ..

done

NCPU=24 vaspname=vasp5.3 for i in NoH H HH

do mkdir $i/

cp INCAR* KPOINTS POTCAR $i/

cp POSCAR$i $i/POSCAR

cp POTCAR$i $i/POTCAR

cd $i/

#--------------------no magnetic------------

mkdir NM/

cp INCAR* KPOINTS* POSCAR POTCAR NM/

cd NM/

cp INCARrelax INCAR

/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $NCPU $vaspname | dateify.sh >logrelax cp INCARscf INCAR

cp CONTCAR POSCAR

/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $NCPU $vaspname | dateify.sh >logscf cd ..

#----------------Ferro magnetic-------------

mkdir FM/

cp INCAR* KPOINTS POTCAR POSCAR FM/

cd FM/

cp INCARrelax INCAR

cat>>INCAR<<!

ISPIN=2

!

/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $NCPU $vaspname | dateify.sh >logrelax cp INCARscf INCAR

cat>>INCAR<<!

ISPIN=2

!

cp CONTCAR POSCAR

/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $NCPU $vaspname | dateify.sh >logscf

cd ..

#----------antiferro magnetic--------------- #mkdir AFM/

#cp INCAR* POSCAR KPOINTS POTCAR AM/ #cd AFM/

#cp INCARrelax INCAR

#cat >>INCAR<<!

#ISPIN=2

#MAGMOM=

#/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $NCPU $vaspname | dateify.sh >logrelax #cp INCARscf INCAR

#cp CONTCAR POSCAR

#/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $NCPU $vaspname | dateify.sh >logscf #cd ..

#-----------------------------------

cd .. # exit $i

done

cd /home/lijin/PQ/SMS/2L/

chmod 777 run.sh

./run.sh

mkdir scf/

cp INCARscf scf/INCAR

cp KPOINTSscf scf/KPOINTS

cp POTCAR POSCAR scf/

cd scf/

/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $n vasp5.3 | dateify.sh >logscf cd ..

mkdir dos/

cp INCARdos dos/INCAR

cp KPOINTSdos dos/KPOINTS

cp POTCAR POSCAR dos/

cp scf/CHG* WAVECAR dos/

cd dos/

/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $n vasp5.3 | dateify.sh >logdos rm CHG* WAVE* vasp*

cd ..

mkdir bands/ cp INCARbands bands/INCAR

cp KPOINTSbands bands/KPOINTS

cp POTCAR POSCAR bands/

cp scf/CHG* WAVECAR bands/

cd bands/

/home/lijin/software/openmpi/openmpi_install/bin/mpirun -np $n vasp5.3 | dateify.sh >logbands rm CHG* WAVE* vasp*

cd ..

#!/bin/sh

for i in 1.1 1.2 1.3 1.4 1.5 1.6 1.7 do

cat>POSCAR<<! Bi2Se3

$i

2.4189942319946462 0.0000000000000002 10.3661241500868702

-1.2094971159973227 2.0949102895767071 10.3661241500868702

-1.2094971159973227 -2.0949102895767071 10.3661241500868702

Se Bi

3 2

Selective dynamics

Direct

0.2204021036629392 0.2204021036629392 0.2204021036629392 T T T

0.7795978963370609 0.7795978963370609 0.7795978963370609 T T T

0.0000000000000000 0.0000000000000000 0.0000000000000000 T T T

0.3959198375051541 0.3959198375051542 0.3959198375051542 T T T

0.6040801624948458 0.6040801624948458 0.6040801624948458 T T T

0.00000000E+00 0.00000000E+00 0.00000000E+00

0.00000000E+00 0.00000000E+00 0.00000000E+00

0.00000000E+00 0.00000000E+00 0.00000000E+00

0.00000000E+00 0.00000000E+00 0.00000000E+00

0.00000000E+00 0.00000000E+00 0.00000000E+00

!

Echo “a=$i angstrom”; vasp

E=`grep “TOTEN” OUTCAR | tail -1 | awk{printf”%12.6f\n”,$5}` E=`grep “volume” OUTCAR | tail -1 | awk{printf”%12.4f\n”,$5}`

M=`grep ”number of electron” OUTCAR | tail -1 | awk {printf”%12.4f\n”,$6}` cp OUTCAR outcar.$i

echo $V $E >>EtVo.dat

Echo $i $E >>SUMMAY

Echo $i $M >>mag

一些常用sql脚本整理2017-04-26 17:32 | #2楼

一些实施和维护人员经常遇到的问题,在这稍做整理,希望对大家有所帮助。 注:执行这些脚本前,一定要备份数据。在测试环境中测试没有问题后,方可使用。

1.预算系统预制用户tbadmin删除,如何恢复?

首先,建立前台建立用户tbadmin,后执行以下脚本

update sm_user set cuserid= 'TB_NEW100000000004OP' where user_code='tbadmin' commit

2.5x版本固定资产做变动或者减少的时候,经常参照不到,如何处理?

问题原因:已经对该卡片做过变更操作,但是没有确认完成,就有可能造成单据丢失 解决sql:

通过公司编码查出公司pk

se-le-ct pk_corp from bd_corp where unitcode='3103' 1082

通过卡片编码和公司pk.查出卡片pk和变动单pk

se-le-ct pk_card, bill_code from fa_card where card_code='0000000001' and pk_corp='1082' 查出bill_code 为1082V510000000000HR0

通过变动单pk,查询变动单号

se-le-ct bill_code from fa_log where code='1082V510000000000HR0'

查出bill_code 为0_HG_BD0806180001

根据以上查询出结果,进行修改,删除变动单垃圾数据,删除前要查询唯一性,及备份相应的表

se-le-ct * from fa_altersheet where altersheet_code='HG_BD0806180001' and pk_corp='1082' update fa_altersheet set dr=1 where altersheet_code='HG_BD0806180001' and pk_corp='1082';

se-le-ct * from fa_bill where billcode='HG_BD0806180001' and pk_corp='1082'

update fa_bill set dr=1 where billcode='HG_BD0806180001' and pk_corp='1082';

se-le-ct * from fa_card where bill_code='0_HG_BD0806180001'

update fa_card set bill_code='' where bill_code='0_HG_BD0806180001';

se-le-ct * from fa_log where bill_code='0_HG_BD0806180001'

update fa_log set bill_code='' where bill_code='0_HG_BD0806180001'

3.删除非现金科目的现金流量辅助信息

执行以下sql,注意替换相应的账簿pk

create table ufbf2017071501 as se-le-ct * from gl_cashflowcase where pk_glorgbook = '0001V5100000000013SC' and pk_detail in(

se-le-ct distinct pk_detail from gl_detail,gl_voucher,bd_accsubj where gl_voucher.pk_voucher = gl_detail.pk_voucher and

gl_detail.pk_accsubj = bd_accsubj.pk_accsubj and gl_voucher.pk_glorgbook = '0001V5100000000013SC'

and bd_accsubj.CASHBANKFLAG = 0)

delete from gl_cashflowcase where pk_glorgbook = '0001V5100000000013SC' and pk_detail in(

se-le-ct distinct pk_detail from gl_detail,gl_voucher,bd_accsubj where gl_voucher.pk_voucher = gl_detail.pk_voucher and

gl_detail.pk_accsubj =

'0001V5100000000013SC' bd_accsubj.pk_accsubj and gl_voucher.pk_glorgbook =

and bd_accsubj.CASHBANKFLAG = 0)

4.余额表翻倍

问题原因:有可能是期初执行ctrl+alt+t后,没有马上重建余额表

一定要先备份数据库

查找有问题的主体账簿主键(pk_glorgbook)

se-le-ct pk_glorgbook from bd_glorgbook where glorgbookcode = ''

执行脚本,pk_glorgbook = '' 中写入有问题的主体账簿主键,注意修改相应年度

update gl_detail set debitamount=debitamount/2,creditamount=creditamount/2,

fracdebitamount=fracdebitamount/2,fraccreditamount=fraccreditamount/2,

localdebitamount=localdebitamount/2,localcreditamount=localcreditamount/2,

debitquantity=debitquantity/2,creditquantity=creditquantity/2

where pk_voucher in (se-le-ct pk_voucher from gl_voucher where year = ''

and voucherkind = 2 and pk_glorgbook = '' and dr = 0)

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