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76 lines
4.9 KiB
76 lines
4.9 KiB
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timer: Number of nodes = 52
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timer: Busiest calculating node was node = 19
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timer: Times refer to node = 19
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timer: Total elapsed wall-clock time (sec) = 24362.018
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timer: CPU times (sec):
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Calc: Sum, Avge, myNode, Avg/Max = 1261113.836 24252.189 24261.131 1.000
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Comm: Sum, Avge, myNode, Avg/Max = 0.000 0.000 0.000 NaN
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Tot: Sum, Avge, myNode, Avg/Max = 1261113.836 24252.189 24261.131 1.000
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Program times printed if > 0.000E+00 of total
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Program Calls Prg.com Prg.com Prg.tot Prg.tot Nod.avg
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/Tot.com /Tot.tot/Nod.max
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siesta 1 0.000 0.0000 24261.131 1.0000 1.000
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Setup 1 0.000 0.0000 0.398 0.0000 0.989
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bands 1 0.000 0.0000 0.000 0.0000 0.561
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KSV_init 1 0.000 0.0000 0.000 0.0000 0.778
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IterGeom 210 0.000 0.0000 24256.440 0.9998 1.000
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geom_init 210 0.000 0.0000 7953.011 0.3278 0.998
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state_init 210 0.000 0.0000 89.207 0.0037 0.881
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hsparse 210 0.000 0.0000 0.358 0.0000 0.538
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overlap 210 0.000 0.0000 0.182 0.0000 0.398
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Setup_H0 210 0.000 0.0000 7511.415 0.3096 1.000
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naefs 420 0.000 0.0000 0.084 0.0000 0.824
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MolMec 420 0.000 0.0000 0.000 0.0000 0.220
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kinefsm 420 0.000 0.0000 0.306 0.0000 0.377
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nlefsm 420 0.000 0.0000 39.279 0.0016 0.347
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DHSCF_Init 210 0.000 0.0000 7444.786 0.3069 1.000
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DHSCF1 210 0.000 0.0000 497.933 0.0205 0.992
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INITMESH 630 0.000 0.0000 2628.211 0.1083 0.546
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DHSCF2 210 0.000 0.0000 6946.848 0.2863 1.000
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REMESH 210 0.000 0.0000 2628.299 0.1083 0.999
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SPLOAD 420 0.000 0.0000 2628.062 0.1083 0.546
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REORD 2940 0.000 0.0000 1.087 0.0000 0.882
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PHION 210 0.000 0.0000 2613.547 0.1077 0.893
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COMM_BSC 36008 0.000 0.0000 1108.607 0.0457 0.678
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POISON 2382 0.000 0.0000 188.674 0.0078 0.975
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fft 4764 0.000 0.0000 183.316 0.0076 0.977
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setup_H 1961 0.000 0.0000 3269.339 0.1348 1.000
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DHSCF 2172 0.000 0.0000 4473.938 0.1844 0.975
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DHSCF3 2172 0.000 0.0000 3621.087 0.1493 1.000
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rhoofd 2172 0.000 0.0000 1148.266 0.0473 0.874
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XC 2172 0.000 0.0000 817.073 0.0337 0.978
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GXC-CellXC 2172 0.000 0.0000 677.516 0.0279 0.992
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gridxc@cellXC 2172 0.000 0.0000 677.499 0.0279 0.992
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vmat 2171 0.000 0.0000 1058.216 0.0436 0.990
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IterSCF 1751 0.000 0.0000 14842.548 0.6118 1.000
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compute_dm 1751 0.000 0.0000 11794.701 0.4862 0.990
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diagon 1751 0.000 0.0000 11699.303 0.4822 0.998
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cdiag 546312 0.000 0.0000 6155.369 0.2537 0.991
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cdiag1 546312 0.000 0.0000 316.980 0.0131 0.987
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cdiag2 546312 0.000 0.0000 1124.653 0.0464 0.990
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cdiag3 546312 0.000 0.0000 4567.343 0.1883 0.992
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cdiag4 273156 0.000 0.0000 117.560 0.0048 0.980
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MIXER 1541 0.000 0.0000 1.252 0.0001 0.898
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PostSCF 210 0.000 0.0000 1458.945 0.0601 0.999
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DHSCF4 210 0.000 0.0000 852.845 0.0352 0.882
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dfscf 210 0.000 0.0000 266.777 0.0110 0.711
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overfsm 210 0.000 0.0000 0.120 0.0000 0.377
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writeHSX 210 0.000 0.0000 20.919 0.0009 0.921
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state_analysis 210 0.000 0.0000 0.230 0.0000 0.286
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siesta_move 210 0.000 0.0000 0.007 0.0000 0.041
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Analysis 1 0.000 0.0000 4.277 0.0002 0.983
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MPI total 0 0.000 1.0000 0.000 0.0000
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Definitions:
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Program: Name of a time-profiled routine (or code section)
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Calls: Number of profiled calls to a program
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Prg.com: CPU time in communications in one program in one node
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Tot.com: CPU time in communications in all progs. in one node
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Prg.tot: total CPU time in one program in one node
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Tot.tot: total CPU time in all programs in one node
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Nod.avg: average calculation time in one program across nodes
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Nod.max: maximum calculation time in one program across nodes
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Calculation time: CPU time excluding communications
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