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各位老师好,
小弟最近在集群上安装了linda版g16,并进行了测试
gjf文件中希望在node94-node97这三个节点上运行,如下:
%cpu=0-1
%mem=2GB
%lindaworkers=node94,node95,node96,node97
并用以下命令提交:
g16 < test2.gjf> test2.out 2>&1
结果发现会在主节点和node94,node95,node96进行计算,并没有分配给node97,out文件中相关内容如下:
ntsnet: using global map file "/home/chem/g16/linda9.0/linux64bit/../common/lib/tsnet.map"
ntsnet: couldn't find user map file "/home/chem/.tsnet.map"
ntsnet: checking for /home/chem/g16/linda-exe/l302.exel
ntsnet: using executable file /home/chem/g16/linda-exe/l302.exel
ntsnet: maxlicense is 1000000
********************************************
appl config file: /home/chem/g16/linda-exe/tsnet.config-l302_exel
user config file: /home/chem/.tsnet.config
global config file: /home/chem/g16/linda9.0/linux64bit/../common/lib/tsnet.config
user map file: /home/chem/.tsnet.map
global map file: /home/chem/g16/linda9.0/linux64bit/../common/lib/tsnet.map
local node: compuchem
remote nodes: node94 node95 node96 node97
nodelist: node94 node95 node96 node97
nodefile: tsnet.nodes
minwait: 600
maxwait: 600
workerwait: 900
masterload: 1.000000
workerload: 1.000000
fallbackload: 0.990000
maxprocspernode: 1
delay: 0
maxnodes: Number of available nodes
minworkers: 3
maxworkers: 3
loadperiod: 5
high: True
suffix: True
verbose: True
veryverbose: True
distribute: False
cleanup: True
getload: False
translate: True
useglobalconfig: True
useglobalmap: True
application name: l302.exel
application lookup name: l302_exel
local executable directory: /home/chem/g16/linda-exe
distribution directory: /home/chem/g16/linda9.0/linux64bit/
maxlicense: 1000000
********************************************
ntsnet: trying to schedule 3 workers
ntsnet: scheduled a total of 3 workers
********************************************
node name: compuchem
official node name: compuchem
config lookup name: compuchem
executable directory: /home/chem/g16/linda-exe
executable name: l302.exel
working directory: /home/chem/heng/benchmark/test4
debugger:
linda rsh argument: ssh
linda rcp argument:
user:
adjusted load: 1.000000
threshold: 20.000000
speedfactor: 1.000000
available: True
nice: False
master: True
processes scheduled: 1 (including master process)
maximum processes: 1
********************************************
node name: node94
official node name: node94
config lookup name: node94
executable directory: /home/chem/g16/linda-exe
executable name: l302.exel
working directory: /home/chem/heng/benchmark/test4
debugger:
linda rsh argument: ssh
linda rcp argument:
user:
adjusted load: 1.000000
threshold: 20.000000
speedfactor: 1.000000
available: True
nice: False
master: False
processes scheduled: 1
maximum processes: 1
********************************************
node name: node95
official node name: node95
config lookup name: node95
executable directory: /home/chem/g16/linda-exe
executable name: l302.exel
working directory: /home/chem/heng/benchmark/test4
debugger:
linda rsh argument: ssh
linda rcp argument:
user:
adjusted load: 1.000000
threshold: 20.000000
speedfactor: 1.000000
available: True
nice: False
master: False
processes scheduled: 1
maximum processes: 1
********************************************
node name: node96
official node name: node96
config lookup name: node96
executable directory: /home/chem/g16/linda-exe
executable name: l302.exel
working directory: /home/chem/heng/benchmark/test4
debugger:
linda rsh argument: ssh
linda rcp argument:
user:
adjusted load: 1.000000
threshold: 20.000000
speedfactor: 1.000000
available: True
nice: False
master: False
processes scheduled: 1
maximum processes: 1
********************************************
node name: node97
official node name: node97
config lookup name: node97
executable directory: /home/chem/g16/linda-exe
executable name: l302.exel
working directory: /home/chem/heng/benchmark/test4
debugger:
linda rsh argument: ssh
linda rcp argument:
user:
adjusted load: 0.000000
threshold: 20.000000
speedfactor: 1.000000
available: True
nice: False
master: False
processes scheduled: 0
maximum processes: 1
********************************************
ntsnet: starting master process on compuchem
/home/chem/g16/linda9.0/linux64bit/bin/linda_sh /home/chem/g16/linda-exe/l302.exel 268435456 dapp2.chk 1 /home/chem/g16/scratch/Gau-9319.int 0 /home/chem/g16/scratch/Gau-9319.rwf 0 /home/chem/g16/scratch/Gau-9319.d2e 0 /home/chem/g16/scratch/Gau-9319.skr 0 /home/chem/g16/scratch/Gau-9318.inp 0 no-output-file 0 /home/chem/g16/scratch/Gau-9319.nex 0 nofchk 0 +LARGS 5 0 -kainterval 1 -master -1 -tsnetport 34340 -maxworkers 3 -minworkers 3 -minwait 600 -maxwait 600 -nodename compuchem -kaon -env 47415553535f4d4445463d3236383433353435360047415553535f4558454449523d2f686f6d652f6368656d2f6731362f6273643a2f686f6d652f6368656d2f673136004d505f42494e443d796573004d505f424c4953543d302c310047415553535f414445463d302c3100
ntsnet: starting 1 worker on node94
/home/chem/g16/linda9.0/linux64bit/bin/linda_rsh node94 -r ssh /home/chem/g16/linda-exe/l302.exel 268435456 dapp2.chk 1 /home/chem/g16/scratch/Gau-9319.int 0 /home/chem/g16/scratch/Gau-9319.rwf 0 /home/chem/g16/scratch/Gau-9319.d2e 0 /home/chem/g16/scratch/Gau-9319.skr 0 /home/chem/g16/scratch/Gau-9318.inp 0 no-output-file 0 /home/chem/g16/scratch/Gau-9319.nex 0 nofchk 0 +LARGS 5 1 -maxworkers 3 -chdir /home/chem/heng/benchmark/test4 -worker compuchem:-1 -workerwait 900 -tsnetref 1 -nodename node94 -env 47415553535f4d4445463d3236383433353435360047415553535f4558454449523d2f686f6d652f6368656d2f6731362f6273643a2f686f6d652f6368656d2f673136004d505f42494e443d796573004d505f424c4953543d302c310047415553535f414445463d302c3100
ntsnet: starting 1 worker on node95
/home/chem/g16/linda9.0/linux64bit/bin/linda_rsh node95 -r ssh /home/chem/g16/linda-exe/l302.exel 268435456 dapp2.chk 1 /home/chem/g16/scratch/Gau-9319.int 0 /home/chem/g16/scratch/Gau-9319.rwf 0 /home/chem/g16/scratch/Gau-9319.d2e 0 /home/chem/g16/scratch/Gau-9319.skr 0 /home/chem/g16/scratch/Gau-9318.inp 0 no-output-file 0 /home/chem/g16/scratch/Gau-9319.nex 0 nofchk 0 +LARGS 5 2 -maxworkers 3 -chdir /home/chem/heng/benchmark/test4 -worker compuchem:-1 -workerwait 900 -tsnetref 2 -nodename node95 -env 47415553535f4d4445463d3236383433353435360047415553535f4558454449523d2f686f6d652f6368656d2f6731362f6273643a2f686f6d652f6368656d2f673136004d505f42494e443d796573004d505f424c4953543d302c310047415553535f414445463d302c3100
ntsnet: starting 1 worker on node96
/home/chem/g16/linda9.0/linux64bit/bin/linda_rsh node96 -r ssh /home/chem/g16/linda-exe/l302.exel 268435456 dapp2.chk 1 /home/chem/g16/scratch/Gau-9319.int 0 /home/chem/g16/scratch/Gau-9319.rwf 0 /home/chem/g16/scratch/Gau-9319.d2e 0 /home/chem/g16/scratch/Gau-9319.skr 0 /home/chem/g16/scratch/Gau-9318.inp 0 no-output-file 0 /home/chem/g16/scratch/Gau-9319.nex 0 nofchk 0 +LARGS 5 3 -maxworkers 3 -chdir /home/chem/heng/benchmark/test4 -worker compuchem:-1 -workerwait 900 -tsnetref 3 -nodename node96 -env 47415553535f4d4445463d3236383433353435360047415553535f4558454449523d2f686f6d652f6368656d2f6731362f6273643a2f686f6d652f6368656d2f673136004d505f42494e443d796573004d505f424c4953543d302c310047415553535f414445463d302c3100
ntsnet: exec'ing /home/chem/g16/linda9.0/linux64bit/bin/LindaLauncher /tmp/viaExecDataPeb3YE
One-electron integrals computed using PRISM.
NBasis= 303 RedAO= T EigKep= 6.70D-04 NBF= 303
NBsUse= 303 1.00D-06 EigRej= -1.00D+00 NBFU= 303 请问各位老师问题有可能出在哪儿?多谢!
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