sys.argv= ['/home/haule/dmft_w2k/bin_wp14/x_dmft.py', '-d', '-p', 'dmft0'] DmftEnvironment: mpi_prefix.dat exists -- running in parallel mode. /opt/mpich2/intel/13.0/bin/mpiexec -port 24420 -np 96 -machinefile /tmp/49420.1.wp14_hp/machines -env OMP_NUM_THREADS 1 -envlist LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT DmftEnvironment: mpi_prefix.dat2 is different from mpi_prefix.dat -- running dmft1/dmft2 in parallel mode. /opt/mpich2/intel/13.0/bin/mpiexec -port 24420 -np 96 -machinefile /tmp/49420.1.wp14_hp/machines -env OMP_NUM_THREADS 1 -envlist LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT Found Sr3Ir2O7-000AFM.vectorso file, hence assuming so-coupling exists. Switching -so switch! case= Sr3Ir2O7-000AFM root= /home/haule/dmft_w2k/bin_wp14 cixs= [1, 2, 3, 4, 5, 6, 7, 8] NOE= 536.0 opening Sr3Ir2O7-000AFM.scf2 Ef= 8.1153516662