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[并行运算] g16在集群并行问题

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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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发表于 Post on 2019-5-4 20:36:48 | 只看该作者 Only view this author
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