=============================analyze_super_cell()=============================
M	0.00000000000000000000	48	||	0	1	2	3	4	5	14	15	16	17	18	19	28	29	30	31	32	33	42	43	44	45	46	47	56	57	58	59	60	61	70	71	72	73	74	75	84	85	86	87	88	89	98	99	100	101	102	103
O	-2.00000000000000000000	64	||	6	7	8	9	10	11	12	13	20	21	22	23	24	25	26	27	34	35	36	37	38	39	40	41	48	49	50	51	52	53	54	55	62	63	64	65	66	67	68	69	76	77	78	79	80	81	82	83	90	91	92	93	94	95	96	97	104	105	106	107	108	109	110	111
=============================create_recipe()=============================
M	0.00000000000000000000	0	Mn	2.00000000000000000000	16	Cr	3.00000000000000000000	32
0	||	0	1	2	3	4	5	14	15	16	17	18	19	28	29	30	31	32	33	42	43	44	45	46	47	56	57	58	59	60	61	70	71	72	73	74	75	84	85	86	87	88	89	98	99	100	101	102	103
total_vac=	0
M	0.00000000000000000000	0
Mn	2.00000000000000000000	16
Cr	3.00000000000000000000	32
O	-2.00000000000000000000	64
================================set_para_etc()================================
para_alpha=	0.34482125511591998901
================================find_relevant_kpoints()================================
kpoints.size()=	802
=============================pick_recipe_and_atoms()=============================
recipe[	0	].jobsize()=	2254848913647	*
pr_id	0	1	225484891365	225484891365
pr_id	1	225484891366	450969782730	225484891365
pr_id	2	450969782731	676454674095	225484891365
pr_id	3	676454674096	901939565460	225484891365
pr_id	4	901939565461	1127424456825	225484891365
pr_id	5	1127424456826	1352909348190	225484891365
pr_id	6	1352909348191	1578394239555	225484891365
pr_id	7	1578394239556	1803879130919	225484891364
pr_id	8	1803879130920	2029364022283	225484891364
pr_id	9	2029364022284	2254848913647	225484891364
CPU_time_so_far=	0.00358600000000000021
**********************************pick_recipe()**********************************
### start initializing RECIPE= 0 ... CPU_time_so_far=	0.00903900000000000016
### finished initializing RECIPE= 0 ... CPU_time_so_far=	0.01112199999999999994
0	0	CPU_time_so_far=	0.01125699999999999965
!!!RunningIndexDelta=	7779
!!!RunningIndexDelta=	200912
10000	2005380471	CPU_time_so_far=	1.04400800000000004708
20000	4014500471	CPU_time_so_far=	2.07105899999999998329
30000	6023620471	CPU_time_so_far=	3.19702600000000014546
40000	8032740471	CPU_time_so_far=	4.36290699999999986858
50000	10041860471	CPU_time_so_far=	5.53160999999999969390
60000	12050980471	CPU_time_so_far=	6.67797199999999957498
70000	14060100471	CPU_time_so_far=	7.79018799999999966843
80000	16069220471	CPU_time_so_far=	8.79467400000000054661
90000	18078340471	CPU_time_so_far=	9.78705700000000078376
100000	20087460471	CPU_time_so_far=	10.84172000000000046782
110000	22096580471	CPU_time_so_far=	11.95036999999999949296
120000	24105700471	CPU_time_so_far=	12.95167200000000029547
130000	26114820471	CPU_time_so_far=	14.05316700000000018633
140000	28123940471	CPU_time_so_far=	15.09371999999999935937
150000	30133060471	CPU_time_so_far=	16.15372100000000088471
160000	32142180471	CPU_time_so_far=	17.21042500000000075033
170000	34151300471	CPU_time_so_far=	18.25300400000000067280
180000	36160420471	CPU_time_so_far=	19.33265499999999903480
190000	38169540471	CPU_time_so_far=	20.37476799999999954593
200000	40178660471	CPU_time_so_far=	21.44043699999999930128
210000	42187780471	CPU_time_so_far=	22.53231999999999857209
220000	44196900471	CPU_time_so_far=	23.57219500000000067530
230000	46206020471	CPU_time_so_far=	24.63791200000000003456
240000	48215140471	CPU_time_so_far=	25.80838299999999918555
250000	50224260471	CPU_time_so_far=	26.89776300000000119894
260000	52233380471	CPU_time_so_far=	27.92366000000000170189
270000	54242500471	CPU_time_so_far=	29.01282300000000091700
280000	56251620471	CPU_time_so_far=	30.19230200000000152727
290000	58260740471	CPU_time_so_far=	31.65876199999999940360
300000	60269860471	CPU_time_so_far=	32.80814500000000322188
310000	62278980471	CPU_time_so_far=	33.89561900000000349564
320000	64288100471	CPU_time_so_far=	35.01468599999999753436
330000	66297220471	CPU_time_so_far=	36.28232700000000221507
340000	68306340471	CPU_time_so_far=	37.38660999999999745569
350000	70315460471	CPU_time_so_far=	38.49390900000000215186
360000	72324580471	CPU_time_so_far=	39.60719699999999932061
370000	74333700471	CPU_time_so_far=	40.67296699999999987085
380000	76342820471	CPU_time_so_far=	41.81824499999999744659
390000	78351940471	CPU_time_so_far=	42.97793899999999922557
400000	80361060471	CPU_time_so_far=	44.07830500000000029104
410000	82370180471	CPU_time_so_far=	45.17936900000000122191
420000	84379300471	CPU_time_so_far=	46.23225800000000162981
430000	86388420471	CPU_time_so_far=	47.40674800000000033151
440000	88397540471	CPU_time_so_far=	48.48299000000000091859
450000	90406660471	CPU_time_so_far=	49.56470399999999898455
460000	92415780471	CPU_time_so_far=	50.64099999999999823785
470000	94424900471	CPU_time_so_far=	51.72457699999999647389
480000	96434020471	CPU_time_so_far=	52.79612800000000305545
490000	98443140471	CPU_time_so_far=	53.88549400000000133559
500000	100452260471	CPU_time_so_far=	54.93029800000000051341
510000	102461380471	CPU_time_so_far=	55.95288000000000039336
520000	104470500471	CPU_time_so_far=	57.03154299999999921056
530000	106479620471	CPU_time_so_far=	58.07110699999999781085
540000	108488740471	CPU_time_so_far=	59.11932999999999793772
550000	110497860471	CPU_time_so_far=	60.18934600000000045839
560000	112506980471	CPU_time_so_far=	61.30546600000000267983
570000	114516100471	CPU_time_so_far=	62.37936599999999742749
580000	116525220471	CPU_time_so_far=	63.38044599999999917372
590000	118534340471	CPU_time_so_far=	64.48456099999999935335
600000	120543460471	CPU_time_so_far=	65.57561800000000573618
610000	122552580471	CPU_time_so_far=	66.67860100000000045384
620000	124561700471	CPU_time_so_far=	67.77392000000000393811
630000	126570820471	CPU_time_so_far=	68.90799800000000630007
640000	128579940471	CPU_time_so_far=	69.99509299999999711872
650000	130589060471	CPU_time_so_far=	71.10167099999999607007
660000	132598180471	CPU_time_so_far=	72.14662400000000275213
670000	134607300471	CPU_time_so_far=	73.29483600000000365071
680000	136616420471	CPU_time_so_far=	74.42247700000000065756
690000	138625540471	CPU_time_so_far=	75.55815300000000434011
700000	140634660471	CPU_time_so_far=	76.65410199999999463216
710000	142643780471	CPU_time_so_far=	77.73608900000000687669
720000	144652900471	CPU_time_so_far=	78.80774200000000462296
730000	146662020471	CPU_time_so_far=	79.84387800000000368073
740000	148671140471	CPU_time_so_far=	80.98765000000000213731
750000	150680260471	CPU_time_so_far=	82.08296500000000150976
760000	152689380471	CPU_time_so_far=	83.23706199999999455486
770000	154698500471	CPU_time_so_far=	84.29311500000000023647
780000	156707620471	CPU_time_so_far=	85.35466700000000628279
790000	158716740471	CPU_time_so_far=	86.48294400000000337059
800000	160725860471	CPU_time_so_far=	87.60919599999999718420
810000	162734980471	CPU_time_so_far=	88.73512300000000152522
820000	164744100471	CPU_time_so_far=	89.87976899999999602642
830000	166753220471	CPU_time_so_far=	91.07059499999999729880
840000	168762340471	CPU_time_so_far=	92.22736600000000350974
850000	170771460471	CPU_time_so_far=	93.39121900000000664477
860000	172780580471	CPU_time_so_far=	94.42681600000000230466
870000	174789700471	CPU_time_so_far=	95.48513099999999553802
880000	176798820471	CPU_time_so_far=	96.52505299999999976990
890000	178807940471	CPU_time_so_far=	97.59951200000000426371
900000	180817060471	CPU_time_so_far=	98.68613999999999464308
910000	182826180471	CPU_time_so_far=	99.79975799999999708234
920000	184835300471	CPU_time_so_far=	100.89159100000000535147
930000	186844420471	CPU_time_so_far=	102.02720200000000261298
940000	188853540471	CPU_time_so_far=	103.12638699999999403190
950000	190862660471	CPU_time_so_far=	104.21680499999999369720
960000	192871780471	CPU_time_so_far=	105.30661999999999522970
970000	194880900471	CPU_time_so_far=	106.37302499999999838565
980000	196890020471	CPU_time_so_far=	107.50072299999999358988
990000	198899140471	CPU_time_so_far=	108.60617000000000587079
1000000	200908260471	CPU_time_so_far=	109.65902300000000479940
1010000	202917380471	CPU_time_so_far=	110.69871100000000296859
1020000	204926500471	CPU_time_so_far=	111.83041599999999959891
1030000	206935620471	CPU_time_so_far=	112.94103099999999528791
1040000	208944740471	CPU_time_so_far=	113.97718199999999910688
1050000	210953860471	CPU_time_so_far=	115.10801999999999623014
1060000	212962980471	CPU_time_so_far=	116.24033000000000015461
1070000	214972100471	CPU_time_so_far=	117.32113499999999817192
1080000	216981220471	CPU_time_so_far=	118.41654699999999422744
1090000	218990340471	CPU_time_so_far=	119.54231599999999957618
1100000	220999460471	CPU_time_so_far=	120.58218200000000308592
1110000	223008580471	CPU_time_so_far=	121.66721400000000130603
1120000	225017700471	CPU_time_so_far=	122.75906600000000423734
### finished Ewald_loop() ... CPU_time_so_far=	123.01450199999999313150
================================swap()================================
monitoring at pr_id = 0
e_min	denrg_min	denrg_min_tttl	CPU_time_so_far
-3277.20662497600778806373	-4.58080052472087118076	-4.58080052472087118076	125.01892100000000596083
-3279.99332451519876485690	-2.78669953919097679318	-7.36750006391184797394	125.05056199999999932970
-3280.55737852018182820757	-0.56405400498533708742	-7.93155406889718506136	125.06256799999999884676
-3281.07256159591224786709	-0.51518307572496269131	-8.44673714462214775267	125.09065200000000572800
***e_min=	-3281.07256159591224786709	CPU_time_so_far=	125.11955000000000381988
wait till the other MPI ranks finish swap()...
SWAP_at_pr_id=	0	-3281.07256159591224786709	by	-8.44673714448890677886	original:	-3272.62582445142334108823	swap_count=	4	*
SWAP_at_pr_id=	1	-3281.07256159591224786709	by	-14.28948056913714026450	original:	-3266.78308102677510760259	swap_count=	6
SWAP_at_pr_id=	2	-3281.07256159591224786709	by	-14.76105258049301482970	original:	-3266.31150901541923303739	swap_count=	5
SWAP_at_pr_id=	3	-3281.07256159591224786709	by	-13.95345579571812777431	original:	-3267.11910580019412009278	swap_count=	5
SWAP_at_pr_id=	4	-3281.07256159591224786709	by	-6.62736269228616947657	original:	-3274.44519890362607839052	swap_count=	4
SWAP_at_pr_id=	5	-3281.07256159591224786709	by	-6.16018460500072251307	original:	-3274.91237699091152535402	swap_count=	3
SWAP_at_pr_id=	6	-3281.07256159591224786709	by	-27.63506085142125812126	original:	-3253.43750074449098974583	swap_count=	8
SWAP_at_pr_id=	7	-3279.96590346634502566303	by	-12.71493384099812828936	original:	-3267.25096962534689737367	swap_count=	3
SWAP_at_pr_id=	8	-3281.07256159591224786709	by	-16.54591855365788433119	original:	-3264.52664304225436353590	swap_count=	6
SWAP_at_pr_id=	9	-3281.07256159591224786709	by	-13.26681680443061850383	original:	-3267.80574479148162936326	swap_count=	5
SWAP:	-3281.07256159591224786709	by	-8.44673714448890677886	original:	-3272.62582445142334108823	swap_count=	4
CPU_time_so_far=	125.27307199999999909323
=============================pick_recipe()=============================
M6O8_spinel_recovery_001.0001-215512553752.txt	-3281.07256159591224786709
M6O8_spinel_recovery_001.0001-1409471980438.txt	-3099.51932763888999033952
=============================write_energytable()=============================
-1000000000000000013287555072.00000000000000000000	0.00000000000000000000	11223260
-3281.07256159591224786709	-3281.07256158591235362110	1
-3099.51932763888999033952	-3099.51932762889009609353	1
global_e_min=	-3281.07256159591224786709
global_e_max=	-3099.51932763888999033952
global_count_total=	11223262
total_CPU_time=	125.50534700000000043474
