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- ~~~~~~~Runnung on Opteron 6272, number of proceses =1~~~~~~~~~~
- ================================================================
- BIG MEMORY ALLOCATIONS
- GDE 28107807 PME 112431230
- GDE 28107807 PME 112431230
- CATOM 34594200 PME 112431230
- GDE 28107807 PME 112431230
- SCR 22560446 GDE 28107807
- ----------------------------------------------------------------
- [PEAK NUMBER 123] PEAK MEMORY 275901467 = 2207.2 MBytes
- ================================================================
- ****************************************************************
- * *
- * TIMING *
- * *
- ****************************************************************
- SUBROUTINE CALLS CPU TIME ELAPSED TIME
- INVFFTN 26264 1349.77 1372.20
- FWFFTN 13230 893.04 907.39
- FFT-G/S 120896 670.99 683.60
- ODIIS 82 253.43 262.09
- VPSI 277 212.48 216.22
- RHOOFR 133 175.96 179.22
- ROTATE 234 159.77 161.41
- OVLAP 235 156.94 159.01
- EICALC 134 113.11 114.76
- RGS 82 107.12 110.25
- FWFFT 670 74.35 75.52
- RNLSM2 51 71.66 71.90
- RNLSM1 277 65.08 66.39
- FNONLOC 277 62.09 63.14
- VOFRHOA 134 53.49 53.55
- N-FFTCOM 39494 47.33 48.12
- GCENER 134 45.37 46.14
- INVFFT 537 45.07 45.77
- FORCES 133 18.85 19.18
- KIN_ENERGY 133 18.23 18.54
- XCENER 134 16.13 16.39
- GRADEN 134 16.09 16.37
- ----------------------------------------------------------------
- TOTAL TIME 4626.34 4707.19
- ****************************************************************
- CPU TIME : 1 HOURS 17 MINUTES 54.73 SECONDS
- ELAPSED TIME : 1 HOURS 20 MINUTES 44.95 SECONDS
- *** CPMD| SIZE OF THE PROGRAM IS 318764/ 748892 kBYTES ***
- ~~~~~~~~~~Runnung on Opteron 6272, number of proceses = 2~~~~~~~~
- ================================================================
- BIG MEMORY ALLOCATIONS
- PME 56216630 GDE 14054157
- GDE 14054157 PME 56216630
- PME 56216630 CATOM 17297400
- GDE 14054157 PME 56216630
- SCR 11317526 GDE 14054157
- ----------------------------------------------------------------
- [PEAK NUMBER 123] PEAK MEMORY 138629441 = 1109.0 MBytes
- ================================================================
- ****************************************************************
- * *
- * TIMING *
- * *
- ****************************************************************
- SUBROUTINE CALLS CPU TIME ELAPSED TIME
- INVFFTN 26264 684.73 687.92
- FWFFTN 13230 452.08 453.60
- FFT-G/S 120896 362.40 363.84
- ODIIS 82 132.33 132.85
- VPSI 277 107.54 107.58
- RHOOFR 133 95.01 95.46
- ROTATE 234 80.19 80.55
- OVLAP 235 78.72 79.30
- N-FFTCOM 39494 61.59 61.55
- EICALC 134 56.88 57.07
- RGS 82 52.63 53.29
- FWFFT 670 37.62 37.73
- RNLSM2 51 34.62 34.78
- RNLSM1 277 31.88 32.14
- FNONLOC 277 31.27 31.33
- VOFRHOA 134 26.38 26.49
- INVFFT 537 23.01 23.09
- GCENER 134 22.93 22.99
- FORCES 133 9.41 9.47
- KIN_ENERGY 133 9.05 9.11
- XCENER 134 8.17 8.20
- GRADEN 134 8.15 8.19
- FFTCOM 1207 7.79 7.85
- ----------------------------------------------------------------
- TOTAL TIME 2414.37 2424.40
- ****************************************************************
- CPU TIME : 0 HOURS 40 MINUTES 38.38 SECONDS
- ELAPSED TIME : 0 HOURS 42 MINUTES 24.01 SECONDS
- *** CPMD| SIZE OF THE PROGRAM IS 182740/ 499968 kBYTES ***
- ================================================================
- = COMMUNICATION TASK AVERAGE MESSAGE LENGTH NUMBER OF CALLS =
- = SEND/RECEIVE 289277. BYTES 1561. =
- = BROADCAST 29904. BYTES 707. =
- = GLOBAL SUMMATION 53090. BYTES 2585. =
- = GLOBAL MULTIPLICATION 0. BYTES 1. =
- = ALL TO ALL COMM 3201416. BYTES 40701. =
- = PERFORMANCE TOTAL TIME =
- = SEND/RECEIVE 1983.692 MB/S 0.228 SEC =
- = BROADCAST 2093.039 MB/S 0.010 SEC =
- = GLOBAL SUMMATION 146.175 MB/S 0.939 SEC =
- = GLOBAL MULTIPLICATION 0.000 MB/S 0.001 SEC =
- = ALL TO ALL COMM 1880.416 MB/S 69.294 SEC =
- = SYNCHRONISATION 0.078 SEC =
- ================================================================
- ~~~~~~~~~~Runnung on Opteron 6272, number of proceses =4~~~~~~~~
- ================================================================
- BIG MEMORY ALLOCATIONS
- PME 28121030 PME 28121030
- PME 28121030 GDE 7030257
- GDE 7030257 CATOM 8652600
- GDE 7030257 PME 28121030
- SCR 5698406 GDE 7030257
- ----------------------------------------------------------------
- [PEAK NUMBER 123] PEAK MEMORY 69881455 = 559.1 MBytes
- ================================================================
- ****************************************************************
- * *
- * TIMING *
- * *
- ****************************************************************
- SUBROUTINE CALLS CPU TIME ELAPSED TIME
- INVFFTN 26264 404.33 406.27
- FWFFTN 13230 251.43 252.23
- FFT-G/S 120896 229.91 231.00
- ODIIS 82 71.67 71.95
- VPSI 277 69.59 69.67
- RHOOFR 133 68.97 69.30
- ROTATE 234 42.20 42.38
- OVLAP 235 41.11 41.32
- N-FFTCOM 39494 36.75 37.12
- EICALC 134 29.09 29.18
- RGS 82 27.61 27.84
- FWFFT 670 20.94 21.04
- FNONLOC 277 18.53 18.59
- RNLSM2 51 16.04 16.13
- RNLSM1 277 14.58 14.69
- VOFRHOA 134 13.79 13.82
- INVFFT 537 13.57 13.59
- GCENER 134 12.63 12.67
- FFTCOM 1207 5.86 5.89
- FORCES 133 5.30 5.32
- GRADEN 134 4.79 4.81
- KIN_ENERGY 133 4.57 4.59
- XCENER 134 4.47 4.47
- ----------------------------------------------------------------
- TOTAL TIME 1407.74 1413.83
- ****************************************************************
- CPU TIME : 0 HOURS 23 MINUTES 43.71 SECONDS
- ELAPSED TIME : 0 HOURS 25 MINUTES 25.46 SECONDS
- *** CPMD| SIZE OF THE PROGRAM IS 120768/ 479736 kBYTES ***
- ================================================================
- = COMMUNICATION TASK AVERAGE MESSAGE LENGTH NUMBER OF CALLS =
- = SEND/RECEIVE 144619. BYTES 4683. =
- = BROADCAST 29820. BYTES 709. =
- = GLOBAL SUMMATION 53090. BYTES 2585. =
- = GLOBAL MULTIPLICATION 0. BYTES 1. =
- = ALL TO ALL COMM 1600799. BYTES 40701. =
- = PERFORMANCE TOTAL TIME =
- = SEND/RECEIVE 1851.517 MB/S 0.366 SEC =
- = BROADCAST 1170.584 MB/S 0.018 SEC =
- = GLOBAL SUMMATION 160.051 MB/S 1.715 SEC =
- = GLOBAL MULTIPLICATION 0.000 MB/S 0.001 SEC =
- = ALL TO ALL COMM 1518.505 MB/S 42.907 SEC =
- = SYNCHRONISATION 0.012 SEC =
- ================================================================
- ~~~~~~~~Runnung on Opteron 6272, number of proceses =6~~~~~~~~~~
- ================================================================
- BIG MEMORY ALLOCATIONS
- PME 18733730 PME 18733730
- GDE 4683432 SCR 3820946
- GDE 4683432 CATOM 5764200
- PME 18733730 PME 18733730
- GDE 4683432 GDE 4683432
- ----------------------------------------------------------------
- [PEAK NUMBER 123] PEAK MEMORY 46993905 = 376.0 MBytes
- ================================================================
- ****************************************************************
- * *
- * TIMING *
- * *
- ****************************************************************
- SUBROUTINE CALLS CPU TIME ELAPSED TIME
- INVFFTN 26264 289.79 290.82
- N-FFTCOM 39494 232.48 237.66
- FFT-G/S 120896 186.25 187.04
- FWFFTN 13230 171.74 172.21
- ODIIS 82 62.96 63.16
- VPSI 277 57.70 57.87
- RHOOFR 133 56.31 56.43
- ROTATE 234 29.50 29.63
- OVLAP 235 28.68 28.84
- EICALC 134 19.81 19.86
- RGS 82 18.78 18.91
- GLOSUM 1634 17.07 17.52
- FNONLOC 277 15.07 15.12
- FFTCOM 1207 14.88 15.11
- FWFFT 670 14.61 14.63
- RNLSM2 51 11.02 11.10
- RNLSM1 277 10.43 10.48
- INVFFT 537 9.61 9.61
- VOFRHOA 134 9.34 9.36
- GCENER 134 8.89 8.93
- FORCES 133 4.17 4.18
- GRADEN 134 3.57 3.58
- SUMFNL 277 3.50 3.60
- KIN_ENERGY 133 3.27 3.28
- XCENER 134 2.98 2.98
- ----------------------------------------------------------------
- TOTAL TIME 1282.40 1291.90
- ****************************************************************
- CPU TIME : 0 HOURS 21 MINUTES 43.80 SECONDS
- ELAPSED TIME : 0 HOURS 23 MINUTES 24.20 SECONDS
- *** CPMD| SIZE OF THE PROGRAM IS 97936/ 388208 kBYTES ***
- ================================================================
- = COMMUNICATION TASK AVERAGE MESSAGE LENGTH NUMBER OF CALLS =
- = SEND/RECEIVE 96432. BYTES 7805. =
- = BROADCAST 29736. BYTES 711. =
- = GLOBAL SUMMATION 53090. BYTES 2585. =
- = GLOBAL MULTIPLICATION 0. BYTES 1. =
- = ALL TO ALL COMM 1103261. BYTES 40701. =
- = PERFORMANCE TOTAL TIME =
- = SEND/RECEIVE 1773.269 MB/S 0.424 SEC =
- = BROADCAST 788.499 MB/S 0.027 SEC =
- = GLOBAL SUMMATION 11.227 MB/S 31.598 SEC =
- = GLOBAL MULTIPLICATION 0.000 MB/S 0.001 SEC =
- = ALL TO ALL COMM 177.716 MB/S 252.672 SEC =
- = SYNCHRONISATION 0.146 SEC =
- ================================================================
- ~~~~~~~~~~Runnung on Opteron 6272, number of proceses =8~~~~~~~~
- ================================================================
- BIG MEMORY ALLOCATIONS
- CATOM 4330200 PME 14073230
- GDE 3518307 PME 14073230
- GDE 3518307 SCR 2888846
- PME 14073230 PME 14073230
- GDE 3518307 GDE 3518307
- ----------------------------------------------------------------
- [PEAK NUMBER 123] PEAK MEMORY 35506919 = 284.1 MBytes
- ================================================================
- ****************************************************************
- * *
- * TIMING *
- * *
- ****************************************************************
- SUBROUTINE CALLS CPU TIME ELAPSED TIME
- N-FFTCOM 39494 213.61 219.20
- INVFFTN 26264 199.93 201.19
- FWFFTN 13230 129.07 129.53
- FFT-G/S 120896 114.93 115.87
- ODIIS 82 46.79 47.11
- RHOOFR 133 35.57 35.72
- VPSI 277 35.57 35.91
- ROTATE 234 24.95 25.08
- OVLAP 235 21.56 21.67
- EICALC 134 15.41 15.48
- GLOSUM 1634 14.85 15.16
- RGS 82 14.29 14.46
- FFTCOM 1207 11.78 12.07
- FWFFT 670 10.63 10.67
- FNONLOC 277 10.19 10.24
- RNLSM2 51 8.52 8.57
- RNLSM1 277 7.76 7.83
- VOFRHOA 134 7.11 7.14
- GCENER 134 6.65 6.68
- INVFFT 537 6.55 6.58
- FORCES 133 2.63 2.64
- GRADEN 134 2.59 2.60
- KIN_ENERGY 133 2.56 2.57
- XCENER 134 2.31 2.32
- ----------------------------------------------------------------
- TOTAL TIME 945.80 956.31
- ****************************************************************
- CPU TIME : 0 HOURS 16 MINUTES 6.92 SECONDS
- ELAPSED TIME : 0 HOURS 17 MINUTES 48.29 SECONDS
- *** CPMD| SIZE OF THE PROGRAM IS 124184/ 371968 kBYTES ***
- ================================================================
- = COMMUNICATION TASK AVERAGE MESSAGE LENGTH NUMBER OF CALLS =
- = SEND/RECEIVE 72306. BYTES 10927. =
- = BROADCAST 29653. BYTES 713. =
- = GLOBAL SUMMATION 53090. BYTES 2585. =
- = GLOBAL MULTIPLICATION 0. BYTES 1. =
- = ALL TO ALL COMM 802387. BYTES 40701. =
- = PERFORMANCE TOTAL TIME =
- = SEND/RECEIVE 1918.959 MB/S 0.412 SEC =
- = BROADCAST 722.296 MB/S 0.029 SEC =
- = GLOBAL SUMMATION 14.883 MB/S 27.663 SEC =
- = GLOBAL MULTIPLICATION 0.000 MB/S 0.001 SEC =
- = ALL TO ALL COMM 141.266 MB/S 231.180 SEC =
- = SYNCHRONISATION 0.219 SEC =
- ================================================================
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