From owner-chemistry@ccl.net Sat Dec 8 12:42:01 2007 From: "siamak dalvand siamak_dalvand .. yahoo.com" To: CCL Subject: CCL:G: parallel G03L Message-Id: <-35792-071208012731-20818-oKf1T5rkR26QVZbNS49/Qw!A!server.ccl.net> X-Original-From: siamak dalvand Content-Transfer-Encoding: 8bit Content-Type: multipart/alternative; boundary="0-977060776-1197095239=:81327" Date: Fri, 7 Dec 2007 22:27:19 -0800 (PST) MIME-Version: 1.0 Sent to CCL by: siamak dalvand [siamak_dalvand.:.yahoo.com] --0-977060776-1197095239=:81327 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear friend Would you please tell me how I can solve problem about “parallel G03L job via Linda 7.1?” Help, please!!! Siamak input : A.com ######################### %NProcLinda=2 %Mem=20MW #P HF/cc-pVDZ GFPRINT SCF=Tight Thiophene 0 1 S 0.000000 0.000000 1.198638 C 0.000000 1.243024 -0.010683 C 0.000000 0.715224 -1.272668 C 0.000000 -1.243024 -0.010683 C 0.000000 -0.715224 -1.272668 H 0.000000 -1.319531 -2.173349 H 0.000000 -2.283992 0.284349 H 0.000000 1.319531 -2.173349 H 0.000000 2.283992 0.284349 end of input ############################# Error message at the end of output [root*a root]# g03l A.com setenv GAUSS_EXEDIR /usr//g03/linda-exe:/usr//g03/linda-exe:/usr//g03/bsd:/usr//g03/private:/usr//g03 g03 A.com ntsnet: using global map file "/usr/g03/linda7.1/intel-linux2.4/../common/lib/tsnet.map" ntsnet: using user map file "/root/.tsnet.map" ntsnet: using local node name A ntsnet: checking for /usr//g03/linda-exe/l302.exel ntsnet: using executable file /usr//g03/linda-exe/l302.exel ntsnet: maxlicense is 1000000 ******************************************** appl config file: /usr//g03/linda-exe/tsnet.config-l302_exel user config file: /root/.tsnet.config global config file: /usr/g03/linda7.1/intel-linux2.4/../common/lib/tsnet.config user map file: /root/.tsnet.map global map file: /usr/g03/linda7.1/intel-linux2.4/../common/lib/tsnet.map local node: A remote nodes: B nodelist: A B 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: 1 maxworkers: 1 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: /usr//g03/linda-exe distribution directory: /usr/g03/linda7.1/intel-linux2.4/ maxlicense: 1000000 ******************************************** ntsnet: trying to schedule 1 worker ntsnet: scheduled a total of 1 worker ******************************************** node name: A official node name: A.localdomain config lookup name: A executable directory: /usr//g03/linda-exe executable name: l302.exel working directory: /root 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: B official node name: B.localdomain config lookup name: B executable directory: /usr//g03/linda-exe executable name: l302.exel working directory: /root 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 ******************************************** ntsnet: starting master process on A.localdomain /usr/g03/linda7.1/intel-linux2.4/bin/linda_sh /usr//g03/linda-exe/l302.exel 20971520 /root/scratch/Gau-1300.chk 0 /root/scratch/Gau-1300.int 0 /root/scratch/Gau-1300.rwf 0 /root/scratch/Gau-1300.d2e 0 /root/scratch/Gau-1300.scr 0 /root/scratch/Gau-1299.inp 0 junk.out 0 +LARGS 2 0 -kainterval 1 -master 59164 -tsnetport 39712 -maxworkers 1 -minworkers 1 -minwait 600 -maxwait 600 -nodename A.localdomain -kaon ntsnet: starting 1 worker on B.localdomain /usr/g03/linda7.1/intel-linux2.4/bin/linda_rsh B.localdomain -r ssh /usr//g03/linda-exe/l302.exel 20971520 /root/scratch/Gau-1300.chk 0 /root/scratch/Gau-1300.int 0 /root/scratch/Gau-1300.rwf 0 /root/scratch/Gau-1300.d2e 0 /root/scratch/Gau-1300.scr 0 /root/scratch/Gau-1299.inp 0 junk.out 0 +LARGS 2 1 -maxworkers 1 -chdir /root -worker A.localdomain:59164 -workerwait 900 -tsnetref 1 -nodename B.localdomain ntsnet: exec'ing /usr/g03/linda7.1/intel-linux2.4/bin/LindaLauncher subprocess pid = 1305 has exited. status = 0x000b, id = 0, state = 17. command was /usr/g03/linda7.1/intel-linux2.4/bin/linda_sh /usr//g03/linda-exe/l302.exel 20971520 /root/scratch/Gau-1300.chk 0 /root/scratch/Gau-1300.int 0 /root/scratch/Gau-1300.rwf 0 /root/scratch/Gau-1300.d2e 0 /root/scratch/Gau-1300.scr 0 /root/scratch/Gau-1299.inp 0 junk.out 0 +LARGS 1 A.localdomain 194.225.33.1 32789 1 1 . died after signing in successfully [root*a root]# --------------------------------- Looking for last minute shopping deals? Find them fast with Yahoo! Search. --0-977060776-1197095239=:81327 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear friend
  Would you please tell me how I can solve problem about “parallel G03L job via Linda 7.1?”
  Help, please!!!
  Siamak





input : A.com

#########################
  %NProcLinda=2
  %Mem=20MW

  #P HF/cc-pVDZ GFPRINT SCF=Tight

  Thiophene

  0  1
  S      0.000000    0.000000    1.198638
  C      0.000000    1.243024   -0.010683
  C      0.000000    0.715224   -1.272668
  C      0.000000   -1.243024   -0.010683
  C      0.000000   -0.715224   -1.272668
  H      0.000000   -1.319531   -2.173349
  H      0.000000   -2.283992    0.284349
  H      0.000000    1.319531   -2.173349
  H      0.000000    2.283992    0.284349

  end of input

#############################





Error message at the end of output



  [root*a root]# g03l A.com
  setenv GAUSS_EXEDIR
/usr//g03/linda-exe:/usr//g03/linda-exe:/usr//g03/bsd:/usr//g03/private:/usr//g03
  g03 A.com
  ntsnet: using global map file
"/usr/g03/linda7.1/intel-linux2.4/../common/lib/tsnet.map"
  ntsnet: using user map file "/root/.tsnet.map"
  ntsnet: using local node name A
  ntsnet: checking for /usr//g03/linda-exe/l302.exel
  ntsnet: using executable file /usr//g03/linda-exe/l302.exel
  ntsnet: maxlicense is 1000000
  ********************************************
  appl config file:       /usr//g03/linda-exe/tsnet.config-l302_exel
  user config file:       /root/.tsnet.config
  global config file:   
/usr/g03/linda7.1/intel-linux2.4/../common/lib/tsnet.config
  user map file:          /root/.tsnet.map
  global map file:      
/usr/g03/linda7.1/intel-linux2.4/../common/lib/tsnet.map
  local node:             A
  remote nodes:           B
  nodelist:               A B
  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:             1
  maxworkers:             1
  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: /usr//g03/linda-exe
  distribution directory: /usr/g03/linda7.1/intel-linux2.4/
  maxlicense:             1000000
  ********************************************
  ntsnet: trying to schedule 1 worker
  ntsnet: scheduled a total of 1 worker
  ********************************************
  node name:              A
  official node name:     A.localdomain
  config lookup name:     A
  executable directory:   /usr//g03/linda-exe
  executable name:        l302.exel
  working directory:      /root
  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:              B
  official node name:     B.localdomain
  config lookup name:     B
  executable directory:   /usr//g03/linda-exe
  executable name:        l302.exel
  working directory:      /root
  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
  ********************************************
  ntsnet: starting master process on A.localdomain
  /usr/g03/linda7.1/intel-linux2.4/bin/linda_sh
/usr//g03/linda-exe/l302.exel 20971520 /root/scratch/Gau-1300.chk 0
/root/scratch/Gau-1300.int 0 /root/scratch/Gau-1300.rwf 0
/root/scratch/Gau-1300.d2e 0 /root/scratch/Gau-1300.scr 0
/root/scratch/Gau-1299.inp 0 junk.out 0 +LARGS 2 0 -kainterval 1
-master
59164 -tsnetport 39712 -maxworkers 1 -minworkers 1 -minwait 600
-maxwait
600 -nodename A.localdomain -kaon
  ntsnet: starting 1 worker on B.localdomain
  /usr/g03/linda7.1/intel-linux2.4/bin/linda_rsh B.localdomain -r ssh
/usr//g03/linda-exe/l302.exel 20971520 /root/scratch/Gau-1300.chk 0
/root/scratch/Gau-1300.int 0 /root/scratch/Gau-1300.rwf 0
/root/scratch/Gau-1300.d2e 0 /root/scratch/Gau-1300.scr
  0 /root/scratch/Gau-1299.inp 0 junk.out 0 +LARGS 2 1 -maxworkers 1
-chdir /root -worker A.localdomain:59164 -workerwait 900 -tsnetref 1
-nodename B.localdomain
  ntsnet: exec'ing /usr/g03/linda7.1/intel-linux2.4/bin/LindaLauncher
  subprocess pid = 1305 has exited. status = 0x000b, id = 0, state =
17.
command was /usr/g03/linda7.1/intel-linux2.4/bin/linda_sh
/usr//g03/linda-exe/l302.exel 20971520 /root/scratch/Gau-1300.chk 0
/root/scratch/Gau-1300.int 0 /root/scratch/Gau-1300.rwf 0
/root/scratch/Gau-1300.d2e 0 /root/scratch/Gau-1300.scr 0
/root/scratch/Gau-1299.inp 0 junk.out 0 +LARGS 1 A.localdomain
194.225.33.1 32789 1 1 .
  died after signing in successfully
  [root*a root]#

Looking for last minute shopping deals? Find them fast with Yahoo! Search. --0-977060776-1197095239=:81327-- From owner-chemistry@ccl.net Sat Dec 8 14:18:01 2007 From: "Pablo Echenique echenique.p:gmail.com" To: CCL Subject: CCL: distribution of memory and disk in a G03 parallel job Message-Id: <-35793-071208141716-25456-C/3NL9fXfwMoGv1SExxMkQ]^[server.ccl.net> X-Original-From: "Pablo Echenique" Date: Sat, 8 Dec 2007 14:17:13 -0500 Sent to CCL by: "Pablo Echenique" [echenique.p]^[gmail.com] Dear CCLers, excuse me for my newbieness but I want to know whether or not the memory and, specially, disk requirements of a job are distributed among the machines if I launch it in a parallel rather than in serial way. Coming down to an example, say I want to perform a CCSD single point energy calculation that requires 200GB of disk space to be run. If I launch the job in a machine with 100GB available space for the scratch folder, the job dies. But, what if I launch the same job, say, in a parallel way, to 4 machines with 60GB available space each? Will the disk requirements be split and the job will successfully end or will it die? And what about RAM memory? Thank you very much in advance for your help and best regards from Spain, Pablo Echenique -- Pablo Echenique Instituto de Biocomputacin y Fsica de los Sistemas Complejos (BIFI) Departamento de Fsica Terica Universidad de Zaragoza Pedro Cerbuna 12, 50009 Zaragoza Spain Tel.: +34 976761260 Fax: +34 976761264 echenique.p++gmail.com http://www.pabloechenique.com