USER = jtomczak HOMEDIR = /home/users/jtomczak JOB_ID = 225848 JOB_NAME = fesb2_band QUEUE = wsp64m NSLOTS = 10 NHOSTS = 2 SUB_HOST = rupc.rutgers.edu SUB_DIR = /mnt/home/users/jtomczak/DATA/WIEN/FeSb2/HYBRID/FeSb2/FeSb2/FeSb2 EXE_HOST = sub04n12 EXE_DIR = /mnt/sub04n12 OUT_DIR = /scr TMP_DIR = /tmp/225848.1.wsp64m INFO = Files larger than 100MB will be compressed to reduce the network load. INFO2 = Do NOT remove this file while job is running! Your job started at Mon Jun 22 11:45:18 EDT 2009 on host sub04n12 in /mnt/sub04n12/225848jtomczak Submission directory is /mnt/home/users/jtomczak/DATA/WIEN/FeSb2/HYBRID/FeSb2/FeSb2/FeSb2 on host rupc.rutgers.edu ----------------------------------------------------------------------------------------- -catch_rsh /opt/SGE/spool/sub04n12/active_jobs/225848.1/pe_hostfile sub04n12 sub04n12 sub04n12 sub04n12 sub04n12 sub04n12 sub04n12 sub04n12 sub04n13 sub04n13 /home/users/jtomczak/wien2k:/opt/intel/fce/9.1/bin:/tmp/225848.1.wsp64m:/usr/local/bin:/usr/ucb:/bin:/usr/bin: FeSb2 cp: omitting directory `FeSb2' LAPW0 END LAPW1 END Warning: Permanently added 'sub04n13,192.168.104.13' (RSA1) to the list of known hosts. LAPW1 END Warning: Permanently added 'sub04n12,192.168.104.12' (RSA1) to the list of known hosts. LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW2 - FERMI; weighs written LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END SUMPARA END LAPW2 - FERMI; weighs written LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END SUMPARA END CORE END CORE END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END SUMPARA END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END LAPWDM END SUMPARA END LAPW2 - FERMI; weighs written LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END SUMPARA END LAPW2 - FERMI; weighs written LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END LAPW2 END SUMPARA END LAPW0 END ORB END ORB END MIXER END > energy in SCF NOT CONVERGED New version of save_lapw selected Starting save: FeSb2.struct -> tmp/FeSb2.struct FeSb2.clmsum -> tmp/FeSb2.clmsum FeSb2.clmup -> tmp/FeSb2.clmup FeSb2.clmdn -> tmp/FeSb2.clmdn FeSb2.dmatup -> tmp/FeSb2.dmatup FeSb2.dmatdn -> tmp/FeSb2.dmatdn FeSb2.dmatud -> tmp/FeSb2.dmatud FeSb2.vorbup -> tmp/FeSb2.vorbup FeSb2.vorbdn -> tmp/FeSb2.vorbdn FeSb2.vrespsum -> tmp/FeSb2.vrespsum FeSb2.vrespup -> tmp/FeSb2.vrespup FeSb2.vrespdn -> tmp/FeSb2.vrespdn FeSb2.kgen -> tmp/FeSb2.kgen FeSb2.klist -> tmp/FeSb2.klist FeSb2.scf -> tmp/FeSb2.scf FeSb2.scf2 -> tmp/FeSb2.scf2 FeSb2.scf2up -> tmp/FeSb2.scf2up FeSb2.scf2dn -> tmp/FeSb2.scf2dn FeSb2.in0 -> tmp/FeSb2.in0 FeSb2.in0.gga -> tmp/FeSb2.in0.gga FeSb2.in0_st -> tmp/FeSb2.in0_st FeSb2.in0_std -> tmp/FeSb2.in0_std FeSb2.in0eece -> tmp/FeSb2.in0eece FeSb2.in0~ -> tmp/FeSb2.in0~ FeSb2.in1 -> tmp/FeSb2.in1 FeSb2.in1_orig -> tmp/FeSb2.in1_orig FeSb2.in1_st -> tmp/FeSb2.in1_st FeSb2.in1_st~ -> tmp/FeSb2.in1_st~ FeSb2.in1new -> tmp/FeSb2.in1new FeSb2.in2 -> tmp/FeSb2.in2 FeSb2.in2_ls -> tmp/FeSb2.in2_ls FeSb2.in2_st -> tmp/FeSb2.in2_st FeSb2.in2_sy -> tmp/FeSb2.in2_sy FeSb2.in2eece -> tmp/FeSb2.in2eece FeSb2.inc -> tmp/FeSb2.inc FeSb2.inc_st -> tmp/FeSb2.inc_st FeSb2.incup -> tmp/FeSb2.incup FeSb2.indm -> tmp/FeSb2.indm FeSb2.ineece -> tmp/FeSb2.ineece FeSb2.injoint -> tmp/FeSb2.injoint FeSb2.inkram -> tmp/FeSb2.inkram FeSb2.inm -> tmp/FeSb2.inm FeSb2.inm_restart_st -> tmp/FeSb2.inm_restart_st FeSb2.inm_st -> tmp/FeSb2.inm_st FeSb2.inorb -> tmp/FeSb2.inorb FeSb2.inq -> tmp/FeSb2.inq FeSb2.inq_st -> tmp/FeSb2.inq_st FeSb2.inso -> tmp/FeSb2.inso FeSb2.insp -> tmp/FeSb2.insp FeSb2.insp~ -> tmp/FeSb2.insp~ FeSb2.inst -> tmp/FeSb2.inst FeSb2.int -> tmp/FeSb2.int FeSb2.intrans -> tmp/FeSb2.intrans FeSb2.intrans~ -> tmp/FeSb2.intrans~ FeSb2.nmat_only -> tmp/FeSb2.nmat_only FeSb2.vsp -> tmp/FeSb2.vsp FeSb2.vspup -> tmp/FeSb2.vspup FeSb2.vspdn -> tmp/FeSb2.vspdn broyden files deleted, clm*, dmat*, vorb*, vresp*, scf, struct and input files saved under tmp/FeSb2 Restore a calculation using mask tmp/FeSb2 Checking for differences in input files: done Starting restore: tmp/FeSb2.struct -> FeSb2.struct tmp/FeSb2.clmdn -> FeSb2.clmdn tmp/FeSb2.clmsum -> FeSb2.clmsum tmp/FeSb2.clmup -> FeSb2.clmup tmp/FeSb2.klist -> FeSb2.klist tmp/FeSb2.kgen -> FeSb2.kgen tmp/FeSb2.in0 -> FeSb2.in0 tmp/FeSb2.in0.gga -> FeSb2.gga tmp/FeSb2.in0_st -> FeSb2.in0_st tmp/FeSb2.in0_std -> FeSb2.in0_std tmp/FeSb2.in0eece -> FeSb2.in0eece tmp/FeSb2.in0~ -> FeSb2.in0~ tmp/FeSb2.in1 -> FeSb2.in1 tmp/FeSb2.in1_orig -> FeSb2.in1_orig tmp/FeSb2.in1_st -> FeSb2.in1_st tmp/FeSb2.in1_st~ -> FeSb2.in1_st~ tmp/FeSb2.in1new -> FeSb2.in1new tmp/FeSb2.in2 -> FeSb2.in2 tmp/FeSb2.in2_ls -> FeSb2.in2_ls tmp/FeSb2.in2_st -> FeSb2.in2_st tmp/FeSb2.in2_sy -> FeSb2.in2_sy tmp/FeSb2.in2eece -> FeSb2.in2eece tmp/FeSb2.inc -> FeSb2.inc tmp/FeSb2.inc_st -> FeSb2.inc_st tmp/FeSb2.indm -> FeSb2.indm tmp/FeSb2.ineece -> FeSb2.ineece tmp/FeSb2.injoint -> FeSb2.injoint tmp/FeSb2.inkram -> FeSb2.inkram tmp/FeSb2.inm -> FeSb2.inm tmp/FeSb2.inm_restart_st -> FeSb2.inm_restart_st tmp/FeSb2.inm_st -> FeSb2.inm_st tmp/FeSb2.inorb -> FeSb2.inorb tmp/FeSb2.inq -> FeSb2.inq tmp/FeSb2.inq_st -> FeSb2.inq_st tmp/FeSb2.insp -> FeSb2.insp tmp/FeSb2.insp~ -> FeSb2.insp~ tmp/FeSb2.inst -> FeSb2.inst tmp/FeSb2.int -> FeSb2.int tmp/FeSb2.intrans -> FeSb2.intrans tmp/FeSb2.intrans~ -> FeSb2.intrans~ tmp/FeSb2.vorbdn -> FeSb2.vorbdn tmp/FeSb2.vorbup -> FeSb2.vorbup tmp/FeSb2.dmatdn -> FeSb2.dmatdn tmp/FeSb2.dmatup -> FeSb2.dmatup tmp/FeSb2.scf2dn -> FeSb2.scf2dn tmp/FeSb2.scf2up -> FeSb2.scf2up tmp/FeSb2.nmat_only -> FeSb2.nmat_only cp: cannot stat `tmp/FeSb2.nmat_only': No such file or directory tmp/FeSb2.vspdn -> FeSb2.vspdn tmp/FeSb2.vspup -> FeSb2.vspup Restore completed. starting parallel lapw1 at Mon Jun 22 11:57:52 EDT 2009 -> starting parallel LAPW1 jobs at Mon Jun 22 11:57:52 EDT 2009 running LAPW1 in parallel mode (using .machines) 10 number_of_parallel_jobs [1] 17477 [2] 17564 [3] 17651 [4] 17738 [5] 17826 [6] 17913 [7] 18000 [8] 18087 [9] 18174 [10] 18191 LAPW1 END [10] Done ( ( $remote $machine[$p] ... LAPW1 END [9] Done ( ( $remote $machine[$p] ... [9] 18619 LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END LAPW1 END [9] + Done ( ( $remote $machine[$p] ... [8] - Done ( ( $remote $machine[$p] ... [7] + Done ( ( $remote $machine[$p] ... [6] + Done ( ( $remote $machine[$p] ... [5] + Done ( ( $remote $machine[$p] ... [4] + Done ( ( $remote $machine[$p] ... [3] + Done ( ( $remote $machine[$p] ... [2] + Done ( ( $remote $machine[$p] ... [1] + Done ( ( $remote $machine[$p] ... sub04n12(499) 321.816u 4.088s 5:25.88 100.00% 0+0k 0+0io 0pf+0w sub04n12(499) 312.512u 2.492s 5:14.98 100.01% 0+0k 0+0io 0pf+0w sub04n12(499) 234.371u 4.788s 3:59.15 100.00% 0+0k 0+0io 0pf+0w sub04n12(499) 241.475u 1.176s 4:02.68 99.98% 0+0k 0+0io 0pf+0w sub04n12(499) 243.795u 4.964s 4:08.75 100.00% 0+0k 0+0io 0pf+0w sub04n12(499) 331.005u 1.720s 5:32.70 100.01% 0+0k 0+0io 0pf+0w sub04n12(499) 253.864u 1.416s 4:15.29 99.99% 0+0k 0+0io 0pf+0w sub04n12(499) 322.176u 5.672s 5:27.84 100.00% 0+0k 0+0io 0pf+0w sub04n13(499) 212.201u 1.116s 3:38.99 97.41% 0+0k 0+0io 0pf+0w sub04n13(499) 209.785u 1.168s 3:35.51 97.88% 0+0k 0+0io 0pf+0w sub04n13(9) 3.628u 0.088s 4.12 90.08% 0+0k 0+0io 0pf+0w Summary of lapw1para: sub04n12 k=3992 user=2261.01 wallclock=2287.27 sub04n13 k=1007 user=425.614 wallclock=771.78 0.464u 0.312s 5:40.38 0.2% 0+0k 0+0io 0pf+0w number of k-points read in case.vector= 4999 SPAGH END 3.376u 1.688s 0:05.71 88.4% 0+0k 0+0io 7pf+0w Your job finished at Mon Jun 22 12:03:41 EDT 2009