Writing output data file sto.save/ init_run : 8.16s CPU 8.65s WALL ( 1 calls) electrons : 4256.78s CPU 4530.91s WALL ( 5 calls) update_pot : 3.54s CPU 3.56s WALL ( 4 calls) forces : 56.60s CPU 57.17s WALL ( 5 calls) Called by init_run: wfcinit : 7.03s CPU 7.46s WALL ( 1 calls) wfcinit:atom : 0.02s CPU 0.05s WALL ( 10 calls) wfcinit:wfcr : 5.83s CPU 6.17s WALL ( 10 calls) potinit : 0.56s CPU 0.57s WALL ( 1 calls) hinit0 : 0.34s CPU 0.35s WALL ( 1 calls) Called by electrons: c_bands : 3559.44s CPU 3777.45s WALL ( 214 calls) sum_band : 579.68s CPU 626.84s WALL ( 214 calls) v_of_rho : 6.05s CPU 6.66s WALL ( 218 calls) v_h : 0.43s CPU 0.50s WALL ( 218 calls) v_xc : 5.73s CPU 6.27s WALL ( 223 calls) newd : 33.35s CPU 40.48s WALL ( 218 calls) PAW_pot : 79.45s CPU 79.58s WALL ( 222 calls) mix_rho : 1.66s CPU 1.79s WALL ( 214 calls) Called by c_bands: init_us_2 : 18.54s CPU 18.88s WALL ( 4480 calls) cegterg : 3438.21s CPU 3654.60s WALL ( 2140 calls) Called by sum_band: sum_band:bec : 3.25s CPU 3.30s WALL ( 2180 calls) addusdens : 39.60s CPU 46.87s WALL ( 214 calls) Called by *egterg: h_psi : 1812.72s CPU 1966.42s WALL ( 4868 calls) s_psi : 226.90s CPU 227.86s WALL ( 4968 calls) g_psi : 4.28s CPU 4.35s WALL ( 2718 calls) cdiaghg : 746.81s CPU 784.96s WALL ( 4808 calls) cegterg:over : 267.09s CPU 269.18s WALL ( 2718 calls) cegterg:upda : 147.83s CPU 153.27s WALL ( 2718 calls) cegterg:last : 120.29s CPU 121.63s WALL ( 2140 calls) cdiaghg:chol : 36.41s CPU 38.80s WALL ( 4808 calls) cdiaghg:inve : 17.65s CPU 17.74s WALL ( 4808 calls) cdiaghg:para : 153.82s CPU 168.41s WALL ( 9616 calls) Called by h_psi: h_psi:pot : 1687.14s CPU 1830.76s WALL ( 4868 calls) h_psi:calbec : 223.35s CPU 228.40s WALL ( 4868 calls) vloc_psi : 1241.42s CPU 1379.70s WALL ( 4868 calls) vloc_psi:tg_ : 3.80s CPU 4.76s WALL ( 4868 calls) add_vuspsi : 222.34s CPU 222.64s WALL ( 4868 calls) vhpsi : 118.10s CPU 118.84s WALL ( 4868 calls) General routines calbec : 422.02s CPU 430.84s WALL ( 36006 calls) fft : 7.13s CPU 7.70s WALL ( 2889 calls) ffts : 0.32s CPU 0.35s WALL ( 432 calls) fftw : 1321.72s CPU 1467.42s WALL ( 926432 calls) interpolate : 0.54s CPU 0.59s WALL ( 218 calls) davcio : 0.00s CPU 0.01s WALL ( 10 calls) Parallel routines fft_scatt_xy : 259.90s CPU 287.41s WALL ( 929753 calls) fft_scatt_yz : 256.10s CPU 289.24s WALL ( 929753 calls) fft_scatt_tg : 89.72s CPU 100.71s WALL ( 926432 calls) Hubbard U routines new_ns : 19.78s CPU 20.07s WALL ( 214 calls) vhpsi : 118.10s CPU 118.84s WALL ( 4868 calls) force_hub : 39.95s CPU 40.10s WALL ( 5 calls) PAW routines PAW_pot : 79.45s CPU 79.58s WALL ( 222 calls) PWSCF : 1h12m CPU 12h 1m WALL 16h This run was terminated on: 13:16:30 4Feb2019 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=