timer: Number of nodes = 2 timer: Busiest calculating node was node = 1 timer: Times refer to node = 1 timer: Total elapsed wall-clock time (sec) = 4.840 timer: CPU times (sec): Calc: Sum, Avge, myNode, Avg/Max = 9.627 4.813 4.839 0.995 No communications time available. Compile with -DMPI_TIMING Tot: Sum, Avge, myNode, Avg/Max = 9.627 4.813 4.839 0.995 Program times printed if > 0.000E+00 of total Program Calls Prg.com Prg.com Prg.tot Prg.tot Nod.avg /Tot.com /Tot.tot/Nod.max siesta 1 0.000 0.0000 4.839 1.0000 0.995 Setup 1 0.000 0.0000 0.421 0.0870 0.982 IterGeom 1 0.000 0.0000 4.079 0.8430 0.994 state_init 1 0.000 0.0000 0.190 0.0393 0.882 hsparse 1 0.000 0.0000 0.006 0.0012 0.875 overlap 1 0.000 0.0000 0.123 0.0254 0.780 Setup_H0 1 0.000 0.0000 1.777 0.3671 1.000 naefs 2 0.000 0.0000 0.002 0.0004 0.500 kinefsm 2 0.000 0.0000 0.117 0.0242 0.774 nlefsm 2 0.000 0.0000 1.018 0.2103 0.920 DHSCF_Init 1 0.000 0.0000 0.928 0.1917 0.977 DHSCF1 1 0.000 0.0000 0.110 0.0227 0.991 INITMESH 3 0.000 0.0000 0.049 0.0101 0.500 DHSCF2 1 0.000 0.0000 0.818 0.1690 0.973 REMESH 1 0.000 0.0000 0.213 0.0440 0.897 SPLOAD 2 0.000 0.0000 0.049 0.0101 0.500 PHION 1 0.000 0.0000 0.487 0.1006 0.979 COMM_BSC 8 0.000 0.0000 0.007 0.0014 0.549 POISON 4 0.000 0.0000 0.012 0.0025 0.917 fft 8 0.000 0.0000 0.012 0.0025 0.875 IterSCF 1 0.000 0.0000 0.827 0.1709 1.000 setup_H 1 0.000 0.0000 0.389 0.0804 0.999 DHSCF 3 0.000 0.0000 1.609 0.3324 0.963 DHSCF3 3 0.000 0.0000 1.109 0.2291 0.970 rhoofd 3 0.000 0.0000 0.705 0.1457 0.905 cellXC 3 0.000 0.0000 0.017 0.0035 0.912 vmat 2 0.000 0.0000 0.328 0.0678 0.997 compute_dm 1 0.000 0.0000 0.438 0.0905 0.995 diagon 1 0.000 0.0000 0.293 0.0605 0.992 c-eigval 132 0.000 0.0000 0.131 0.0271 0.996 cdiag 264 0.000 0.0000 0.265 0.0548 0.985 cdiag1 264 0.000 0.0000 0.005 0.0010 0.526 cdiag2 264 0.000 0.0000 0.010 0.0021 0.708 cdiag3 264 0.000 0.0000 0.188 0.0388 0.787 cdiag4 264 0.000 0.0000 0.009 0.0019 0.765 c-eigvec 132 0.000 0.0000 0.147 0.0304 0.959 c-buildD 132 0.000 0.0000 0.014 0.0029 0.536 WriteDM 1 0.000 0.0000 0.008 0.0017 0.687 PostSCF 1 0.000 0.0000 1.278 0.2640 1.000 DHSCF4 1 0.000 0.0000 0.500 0.1033 0.947 dfscf 1 0.000 0.0000 0.446 0.0921 0.942 overfsm 1 0.000 0.0000 0.006 0.0012 0.833 No communications time available. Compile with -DMPI_TIMING Definitions: Program: Name of a time-profiled routine (or code section) Calls: Number of profiled calls to a program Prg.com: CPU time in communications in one program in one node Tot.com: CPU time in communications in all progs. in one node Prg.tot: total CPU time in one program in one node Tot.tot: total CPU time in all programs in one node Nod.avg: average calculation time in one program across nodes Nod.max: maximum calculation time in one program across nodes Calculation time: CPU time excluding communications