DmftEnvironment: mpi_prefix.dat exists -- running in parallel mode. /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.429569300000004, -48.429603650000004, -49.657281130000001, -49.658043830000004, -49.657544940000001] E0= -48.4295693 Eimps_new= [0.0, -3.4349999999960801e-05, -1.227711829999997, -1.2284745299999997, -1.2279756399999968] muQMC= 48.4295693 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.4349999999960801e-05, -1.227711829999997, -1.2284745299999997, -1.2279756399999968]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.4349999999960801e-05, -1.227711829999997, -1.2284745299999997, -1.2279756399999968]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8270933429 Running ----- impurity solver ----- Eimps= [-48.434947180000002, -48.4349864, -49.665852839999999, -49.666864610000005, -49.666241140000004] E0= -48.43494718 Eimps_new= [0.0, -3.9219999997897048e-05, -1.2309056599999977, -1.2319174300000029, -1.2312939600000021] muQMC= 48.43494718 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.9219999997897048e-05, -1.2309056599999977, -1.2319174300000029, -1.2312939600000021]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.9219999997897048e-05, -1.2309056599999977, -1.2319174300000029, -1.2312939600000021]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8282571122 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.443680749999999, -48.44374741, -49.671877250000001, -49.672635460000002, -49.672138279999999] E0= -48.44368075 Eimps_new= [0.0, -6.6660000001661501e-05, -1.2281965000000028, -1.2289547100000036, -1.22845753] muQMC= 48.44368075 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.6660000001661501e-05, -1.2281965000000028, -1.2289547100000036, -1.22845753]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.6660000001661501e-05, -1.2281965000000028, -1.2289547100000036, -1.22845753]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8208169142 Running ----- impurity solver ----- Eimps= [-48.45157442, -48.451650480000005, -49.684491820000005, -49.685437630000003, -49.684845510000002] E0= -48.45157442 Eimps_new= [0.0, -7.6060000004929407e-05, -1.2329174000000052, -1.2338632100000027, -1.2332710900000023] muQMC= 48.45157442 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -7.6060000004929407e-05, -1.2329174000000052, -1.2338632100000027, -1.2332710900000023]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -7.6060000004929407e-05, -1.2329174000000052, -1.2338632100000027, -1.2332710900000023]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8239281007 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.444639290000005, -48.444677830000003, -49.673961060000003, -49.674695970000002, -49.674212789999999] E0= -48.44463929 Eimps_new= [0.0, -3.8539999998477015e-05, -1.2293217699999985, -1.230056679999997, -1.2295734999999937] muQMC= 48.44463929 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.8539999998477015e-05, -1.2293217699999985, -1.230056679999997, -1.2295734999999937]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.8539999998477015e-05, -1.2293217699999985, -1.230056679999997, -1.2295734999999937]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8239579618 Running ----- impurity solver ----- Eimps= [-48.449718189999999, -48.449767170000001, -49.68215738, -49.683053700000002, -49.682489180000005] E0= -48.44971819 Eimps_new= [0.0, -4.8980000002529778e-05, -1.2324391900000009, -1.2333355100000034, -1.2327709900000059] muQMC= 48.44971819 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.8980000002529778e-05, -1.2324391900000009, -1.2333355100000034, -1.2327709900000059]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.8980000002529778e-05, -1.2324391900000009, -1.2333355100000034, -1.2327709900000059]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8277348834 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.44317247, -48.44323266, -49.67349042, -49.674457889999999, -49.67385848] E0= -48.44317247 Eimps_new= [0.0, -6.0189999999238353e-05, -1.2303179499999999, -1.231285419999999, -1.2306860099999994] muQMC= 48.44317247 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.0189999999238353e-05, -1.2303179499999999, -1.231285419999999, -1.2306860099999994]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.0189999999238353e-05, -1.2303179499999999, -1.231285419999999, -1.2306860099999994]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8203860996 Running ----- impurity solver ----- Eimps= [-48.447321610000003, -48.447395030000003, -49.680322230000002, -49.681020369999999, -49.680554180000001] E0= -48.44732161 Eimps_new= [0.0, -7.3419999999657648e-05, -1.2330006199999985, -1.2336987599999958, -1.2332325699999984] muQMC= 48.44732161 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -7.3419999999657648e-05, -1.2330006199999985, -1.2336987599999958, -1.2332325699999984]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -7.3419999999657648e-05, -1.2330006199999985, -1.2336987599999958, -1.2332325699999984]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8296456401 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.435957110000004, -48.435989230000004, -49.681988440000005, -49.682793060000002, -49.682272879999999] E0= -48.43595711 Eimps_new= [0.0, -3.2120000000190885e-05, -1.246031330000001, -1.2468359499999977, -1.2463157699999954] muQMC= 48.43595711 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.2120000000190885e-05, -1.246031330000001, -1.2468359499999977, -1.2463157699999954]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.2120000000190885e-05, -1.246031330000001, -1.2468359499999977, -1.2463157699999954]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8246204132 Running ----- impurity solver ----- Eimps= [-48.441212710000002, -48.441253520000004, -49.690796310000003, -49.691362959999999, -49.69096132] E0= -48.44121271 Eimps_new= [0.0, -4.0810000001556546e-05, -1.2495836000000011, -1.2501502499999972, -1.2497486099999975] muQMC= 48.44121271 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.0810000001556546e-05, -1.2495836000000011, -1.2501502499999972, -1.2497486099999975]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.0810000001556546e-05, -1.2495836000000011, -1.2501502499999972, -1.2497486099999975]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8365729293 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.446929440000005, -48.446977109999999, -49.675816390000001, -49.676852080000003, -49.676218000000006] E0= -48.44692944 Eimps_new= [0.0, -4.7669999993615875e-05, -1.2288869499999961, -1.2299226399999981, -1.2292885600000005] muQMC= 48.44692944 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.7669999993615875e-05, -1.2288869499999961, -1.2299226399999981, -1.2292885600000005]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.7669999993615875e-05, -1.2288869499999961, -1.2299226399999981, -1.2292885600000005]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8230805616 Running ----- impurity solver ----- Eimps= [-48.453950760000005, -48.454013570000001, -49.687127740000001, -49.688065460000004, -49.687478410000004] E0= -48.45395076 Eimps_new= [0.0, -6.2809999995749877e-05, -1.2331769799999961, -1.2341146999999992, -1.2335276499999992] muQMC= 48.45395076 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.2809999995749877e-05, -1.2331769799999961, -1.2341146999999992, -1.2335276499999992]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.2809999995749877e-05, -1.2331769799999961, -1.2341146999999992, -1.2335276499999992]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8285275196 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.433900430000001, -48.433898939999999, -49.661713630000001, -49.663020320000001, -49.662249770000003] E0= -48.43390043 Eimps_new= [0.0, 1.4900000024908877e-06, -1.2278131999999999, -1.2291198899999998, -1.2283493400000012] muQMC= 48.43390043 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, 1.4900000024908877e-06, -1.2278131999999999, -1.2291198899999998, -1.2283493400000012]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, 1.4900000024908877e-06, -1.2278131999999999, -1.2291198899999998, -1.2283493400000012]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8191219479 Running ----- impurity solver ----- Eimps= [-48.441088350000001, -48.441100599999999, -49.673409650000004, -49.674397460000002, -49.673784330000004] E0= -48.44108835 Eimps_new= [0.0, -1.2249999997493433e-05, -1.2323213000000024, -1.2333091100000004, -1.2326959800000026] muQMC= 48.44108835 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -1.2249999997493433e-05, -1.2323213000000024, -1.2333091100000004, -1.2326959800000026]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -1.2249999997493433e-05, -1.2323213000000024, -1.2333091100000004, -1.2326959800000026]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8253348458 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.44308367, -48.443147119999999, -49.672542400000005, -49.67250378, -49.672407060000005] E0= -48.44308367 Eimps_new= [0.0, -6.3449999998965723e-05, -1.2294587300000046, -1.2294201099999995, -1.2293233900000047] muQMC= 48.44308367 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.3449999998965723e-05, -1.2294587300000046, -1.2294201099999995, -1.2293233900000047]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.3449999998965723e-05, -1.2294587300000046, -1.2294201099999995, -1.2293233900000047]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8187863928 Running ----- impurity solver ----- Eimps= [-48.450143510000004, -48.450211330000002, -49.683450520000001, -49.684273760000004, -49.683745590000001] E0= -48.45014351 Eimps_new= [0.0, -6.7819999998164349e-05, -1.2333070099999972, -1.2341302499999998, -1.2336020799999972] muQMC= 48.45014351 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.7819999998164349e-05, -1.2333070099999972, -1.2341302499999998, -1.2336020799999972]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.7819999998164349e-05, -1.2333070099999972, -1.2341302499999998, -1.2336020799999972]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8317368454 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.442036950000002, -48.442072850000002, -49.670662700000001, -49.671590070000001, -49.671009330000004] E0= -48.44203695 Eimps_new= [0.0, -3.5900000000310683e-05, -1.2286257499999991, -1.2295531199999985, -1.2289723800000019] muQMC= 48.44203695 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.5900000000310683e-05, -1.2286257499999991, -1.2295531199999985, -1.2289723800000019]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.5900000000310683e-05, -1.2286257499999991, -1.2295531199999985, -1.2289723800000019]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8216678363 Running ----- impurity solver ----- Eimps= [-48.44855888, -48.448602450000003, -49.681077090000002, -49.6820539, -49.6814477] E0= -48.44855888 Eimps_new= [0.0, -4.3570000002546294e-05, -1.2325182100000021, -1.2334950199999994, -1.2328888199999994] muQMC= 48.44855888 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.3570000002546294e-05, -1.2325182100000021, -1.2334950199999994, -1.2328888199999994]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.3570000002546294e-05, -1.2325182100000021, -1.2334950199999994, -1.2328888199999994]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8309990548 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.446605330000004, -48.446685649999999, -49.675720800000001, -49.67620986, -49.675848680000001] E0= -48.44660533 Eimps_new= [0.0, -8.0319999995026592e-05, -1.2291154699999964, -1.229604529999996, -1.2292433499999973] muQMC= 48.44660533 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -8.0319999995026592e-05, -1.2291154699999964, -1.229604529999996, -1.2292433499999973]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -8.0319999995026592e-05, -1.2291154699999964, -1.229604529999996, -1.2292433499999973]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8284674828 Running ----- impurity solver ----- Eimps= [-48.453474610000001, -48.45356091, -49.686563670000005, -49.687438329999999, -49.686883999999999] E0= -48.45347461 Eimps_new= [0.0, -8.6299999999539523e-05, -1.2330890600000046, -1.2339637199999984, -1.2334093899999985] muQMC= 48.45347461 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -8.6299999999539523e-05, -1.2330890600000046, -1.2339637199999984, -1.2334093899999985]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -8.6299999999539523e-05, -1.2330890600000046, -1.2339637199999984, -1.2334093899999985]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8364211933 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.455312890000002, -48.455344449999998, -49.684257470000006, -49.684834020000004, -49.684427890000002] E0= -48.45531289 Eimps_new= [0.0, -3.1559999996488841e-05, -1.2289445800000038, -1.229521130000002, -1.2291150000000002] muQMC= 48.45531289 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.1559999996488841e-05, -1.2289445800000038, -1.229521130000002, -1.2291150000000002]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.1559999996488841e-05, -1.2289445800000038, -1.229521130000002, -1.2291150000000002]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.835726825 Running ----- impurity solver ----- Eimps= [-48.461472560000004, -48.461514749999999, -49.694008930000003, -49.69495122, -49.694361540000003] E0= -48.46147256 Eimps_new= [0.0, -4.2189999994945993e-05, -1.2325363699999983, -1.2334786599999958, -1.2328889799999985] muQMC= 48.46147256 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.2189999994945993e-05, -1.2325363699999983, -1.2334786599999958, -1.2328889799999985]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.2189999994945993e-05, -1.2325363699999983, -1.2334786599999958, -1.2328889799999985]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8438704076 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.46375724, -48.463795410000003, -49.694097939999999, -49.69469041, -49.694278250000004] E0= -48.46375724 Eimps_new= [0.0, -3.8170000003390214e-05, -1.2303406999999993, -1.2309331700000001, -1.2305210100000039] muQMC= 48.46375724 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.8170000003390214e-05, -1.2303406999999993, -1.2309331700000001, -1.2305210100000039]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.8170000003390214e-05, -1.2303406999999993, -1.2309331700000001, -1.2305210100000039]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8443777167 Running ----- impurity solver ----- Eimps= [-48.467437880000006, -48.4674914, -49.6998976, -49.700833410000001, -49.700248569999999] E0= -48.46743788 Eimps_new= [0.0, -5.3519999994477985e-05, -1.2324597199999943, -1.2333955299999957, -1.2328106899999938] muQMC= 48.46743788 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -5.3519999994477985e-05, -1.2324597199999943, -1.2333955299999957, -1.2328106899999938]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -5.3519999994477985e-05, -1.2324597199999943, -1.2333955299999957, -1.2328106899999938]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8507759329 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.455624920000005, -48.45566891, -49.684386060000001, -49.685455920000003, -49.684802869999999] E0= -48.45562492 Eimps_new= [0.0, -4.3989999994664686e-05, -1.228761139999996, -1.2298309999999972, -1.2291779499999933] muQMC= 48.45562492 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.3989999994664686e-05, -1.228761139999996, -1.2298309999999972, -1.2291779499999933]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -4.3989999994664686e-05, -1.228761139999996, -1.2298309999999972, -1.2291779499999933]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8372076953 Running ----- impurity solver ----- Eimps= [-48.462287540000005, -48.462342320000005, -49.695192390000003, -49.696087089999999, -49.695520420000001] E0= -48.46228754 Eimps_new= [0.0, -5.4779999999254869e-05, -1.2329048499999971, -1.2337995499999934, -1.2332328799999956] muQMC= 48.46228754 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -5.4779999999254869e-05, -1.2329048499999971, -1.2337995499999934, -1.2332328799999956]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -5.4779999999254869e-05, -1.2329048499999971, -1.2337995499999934, -1.2332328799999956]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8470007016 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.458653210000001, -48.45871193, -49.69865755, -49.697508070000005, -49.697964240000005] E0= -48.45865321 Eimps_new= [0.0, -5.8719999998402272e-05, -1.2400043399999987, -1.2388548600000036, -1.2393110300000032] muQMC= 48.45865321 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -5.8719999998402272e-05, -1.2400043399999987, -1.2388548600000036, -1.2393110300000032]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -5.8719999998402272e-05, -1.2400043399999987, -1.2388548600000036, -1.2393110300000032]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8427102003 Running ----- impurity solver ----- Eimps= [-48.463973070000002, -48.464036880000002, -49.706403900000005, -49.707052680000004, -49.70661028] E0= -48.46397307 Eimps_new= [0.0, -6.3810000000330547e-05, -1.2424308300000035, -1.2430796100000023, -1.242637209999998] muQMC= 48.46397307 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.3810000000330547e-05, -1.2424308300000035, -1.2430796100000023, -1.242637209999998]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -6.3810000000330547e-05, -1.2424308300000035, -1.2430796100000023, -1.242637209999998]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8485215312 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- Eimps= [-48.439232140000001, -48.439259270000001, -49.697710610000001, -49.694198030000003, -49.695837430000005] E0= -48.43923214 Eimps_new= [0.0, -2.712999999943122e-05, -1.25847847, -1.2549658900000011, -1.2566052900000031] muQMC= 48.43923214 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -2.712999999943122e-05, -1.25847847, -1.2549658900000011, -1.2566052900000031]" .... running .. cd imp.0/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -2.712999999943122e-05, -1.25847847, -1.2549658900000011, -1.2566052900000031]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8367295642 Running ----- impurity solver ----- Eimps= [-48.4443421, -48.44437902, -49.704345500000002, -49.704645190000001, -49.704377579999999] E0= -48.4443421 Eimps_new= [0.0, -3.6919999999440734e-05, -1.2600034000000022, -1.2603030900000007, -1.2600354799999991] muQMC= 48.4443421 "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.6919999999440734e-05, -1.2600034000000022, -1.2603030900000007, -1.2600354799999991]" .... running .. cd imp.1/; /home/chuckyee/dmft_w2k/bin/atom_d.py "qOCA=1" "Nmax=1700" "J=1.0" "Eoca=1.0" "l=2" "n=[6, 7, 8]" "cx=0.0" "mOCA=0.001" "Ex=[0.5, 0.5, 0.5]" "Ncentral=[7]" "OCA_G=False" "qatom=0" "CoulombF='Georges'" "Ep=[3.0, 3.0, 3.0]" "Eimp=[0.0, -3.6919999999440734e-05, -1.2600034000000022, -1.2603030900000007, -1.2600354799999991]" > nohup.out 2>&1 shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8482325212 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.820734731 Running ----- impurity solver ----- shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8360128346 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8131878765 Running ----- impurity solver ----- shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8352042355 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8142569692 Running ----- impurity solver ----- shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8328371229 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft dmft1.def >> dmft1_info.out DMFT END /home/chuckyee/dmft_w2k/bin/sjoin.py -m 1.0 Running ----- impurity solver ----- shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.0/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.0/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8246896807 Running ----- impurity solver ----- shape(Delta)= (5, 699) shape(om)= (699,) shape(lom)= (1999,) ss= (699,) cd imp.1/; /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./ctqmc PARAMS > nohup_imp.out 2>&1 Running ---- ctqmc ----- cd imp.1/; /home/chuckyee/dmft_w2k/bin/broad -w 0.03 -k 0.15 Sig.outb > Sig.out Number of entries: 1999 Number of columns: 11 Reading data with 1999 entries = 46.8383898874 /home/chuckyee/dmft_w2k/bin/sgather.py /home/chuckyee/dmft_w2k/bin/ssplit.py -n 200 -t 500 /usr/bin/time /opt/mpich2/intel/10.1/bin/mpiexec -env LD_LIBRARY_PATH /opt/intel/mkl/9.0/lib/em64t -port 23256 -np 64 -machinefile /tmp/43256.1.wp4m/machines ./dmft2 dmft2.def >> dmft2_info.out DMFT2 END /home/chuckyee/wien2k/x -f LaNiO3 lcore CORE END /home/chuckyee/wien2k/x -f LaNiO3 mixer MIXER END /home/chuckyee/wien2k/x -f LaNiO3 lapw0 LAPW0 END /home/chuckyee/wien2k/x -f LaNiO3 lapw1 LAPW1 END