# CODE: TD-WSLDA-1D # VERSION: 2026.01.27 # API_VERSION: 20240131 # BUILD TIME: Jan 28 2026, 14:10:55 # RUN TIME : Feb 02 2026, 11:48:24 # LATTICE: 256 x 16 x 16 # SPACING: 1.000000 x 1.000000 x 1.000000 # SOMETHING FUNNY FROM W-SLDA FOR A GOOD START: # Make everything as simple as possible, but not simpler. # -- Albert Einstein -- # ENERGY DENSITY FUNCTIONAL: SLDAE # INTEGRATION SCHEME: AB5AM5 # MPI EXCHANGE PACKAGE SIZE=0.006 MB [3] # EXECUTING `assign_deviceid_to_mpi_process` TO GET GPUS DISTRIBUTION ACROSS THE SYSTEM # PROCESS ip=0 RUNNING ON NODE node2061.grid4cern.if.pw.edu.pl USES device-id=0 # ST-WSLDA-1D: file_name=`../st-jj-example/jj-r1/wf.info` # ST-WSLDA-1D: nwf (all modes)=35912 # ST-WSLDA-1D: nx=256, ny=16, nz=16, dx=1.000000, dy=1.000000, dz=1.000000 # ST-WSLDA-1D: kF=1.000000, mu_a=0.194960, mu_b=0.194960, ec=4.934802, beta=2000000000.000000 # ST-WSLDA-1D: nwf in binary files=5645 # INIT1: nwf=5645 wave-functions to scatter # INIT1: BLOCK ID[0] CONSITING WITH 8 PROCESSES READS DATA... # INIT1: LOADING POTENTIALS `../st-jj-example/jj-r1/wf.pud`... # INIT1: TOTAL NUMBER OF PARTICLES: SPIN_A= 0 SPIN_B= 501.6141 TOTAL= 501.6141 # SYSTEM: cp -f ../st-jj-example/jj-r1/reprowf.tar jj-r2_reprowf.tar # INITIALIZING GPU BUFFERS OF ABM ALGORITHM... # EXECUTING: process_params(input->params, [1.000000], [0.194960,0.194960], 0, extra_data) # DONE. # WORKSIZE[ip=0]: workarea_size=1.00 times space of wf (44.10MB) # INITIAL MEASUREMENT # GPU ENERGY : ETOT= 0.42101872, EKIN= 1.56019953, EPOT= -0.38908978, EPAIR= -0.87549813, ECURRENT= 0.00000000, EPOTEXT= 0.12540710, EPAIREXT= 0.00000000, EVELEXT= 0.00000000 # CREATING CHECK STAMP FILE: `jj-r2_check.stamp` # REFERENCE VALUES: kF=1.000000, eF=0.500000, Effg=300.968458 time*eF Na Nb Na+Nb ETOT EKIN EPOT EPAIR ECURRENT EPOTEXT EPAIREXT EVELEXT rt 0.0000 501.61409628 501.61409628 1003.22819255 0.42101872 1.56019953 -0.38908978 -0.87549813 0.00000000 0.12540710 0.00000000 0.00000000 # SELFSTART: EXECUTING TAYLOR EXPANSION OF THE EVOLUTION OPERATOR. # SELFSTART: DONE. 0.0000 501.61409627 501.61409627 1003.22819253 0.42104851 1.56019923 -0.38908978 -0.87546805 0.00000000 0.12540710 0.00000000 0.00000000 5.0050 501.61409631 501.61409631 1003.22819262 0.42104843 1.56007167 -0.38908977 -0.87534062 0.00000238 0.12540478 0.00000000 0.00000000 118.47 10.0100 501.61409631 501.61409631 1003.22819262 0.42105271 1.56002763 -0.38908989 -0.87529223 0.00000936 0.12539784 0.00000000 0.00000000 118.66 15.0150 501.61409631 501.61409631 1003.22819262 0.42106183 1.55996836 -0.38909059 -0.87522288 0.00002094 0.12538600 0.00000000 0.00000000 118.69 20.0200 501.61409631 501.61409631 1003.22819262 0.42107108 1.55997411 -0.38909232 -0.87521692 0.00003719 0.12536901 0.00000000 0.00000000 118.70 25.0250 501.61409631 501.61409631 1003.22819262 0.42107754 1.55991944 -0.38909515 -0.87515157 0.00005784 0.12534699 0.00000000 0.00000000 118.67 30.0300 501.61409631 501.61409631 1003.22819262 0.42107969 1.55994993 -0.38909885 -0.87517438 0.00008257 0.12532042 0.00000000 0.00000000 118.68 35.0350 501.61409631 501.61409631 1003.22819262 0.42107848 1.55995464 -0.38910336 -0.87517337 0.00011087 0.12528969 0.00000000 0.00000000 118.73 40.0400 501.61409631 501.61409631 1003.22819262 0.42107607 1.56000417 -0.38910895 -0.87521622 0.00014211 0.12525495 0.00000000 0.00000000 118.67 45.0450 501.61409631 501.61409631 1003.22819262 0.42107402 1.56003494 -0.38911563 -0.87523775 0.00017575 0.12521671 0.00000000 0.00000000 118.67 50.0500 501.61409631 501.61409631 1003.22819262 0.42107243 1.56006960 -0.38912298 -0.87526133 0.00021136 0.12517578 0.00000000 0.00000000 118.76 55.0550 501.61409631 501.61409631 1003.22819262 0.42107157 1.56008839 -0.38913105 -0.87526692 0.00024852 0.12513264 0.00000000 0.00000000 118.73 60.0600 501.61409631 501.61409631 1003.22819262 0.42107234 1.56012021 -0.38913949 -0.87528346 0.00028694 0.12508814 0.00000000 0.00000000 118.79 65.0650 501.61409631 501.61409631 1003.22819262 0.42107350 1.56014749 -0.38914797 -0.87529519 0.00032618 0.12504299 0.00000000 0.00000000 118.72 70.0700 501.61409631 501.61409631 1003.22819262 0.42107494 1.56015408 -0.38915645 -0.87528606 0.00036562 0.12499775 0.00000000 0.00000000 118.69 75.0750 501.61409631 501.61409631 1003.22819262 0.42107681 1.56017776 -0.38916379 -0.87529597 0.00040482 0.12495399 0.00000000 0.00000000 118.69 80.0800 501.61409631 501.61409631 1003.22819262 0.42107810 1.56020044 -0.38917035 -0.87530686 0.00044307 0.12491180 0.00000000 0.00000000 118.69 85.0850 501.61409631 501.61409631 1003.22819262 0.42107805 1.56022013 -0.38917782 -0.87531406 0.00047965 0.12487015 0.00000000 0.00000000 118.71 90.0900 501.61409631 501.61409631 1003.22819262 0.42107760 1.56026020 -0.38918520 -0.87534196 0.00051396 0.12483060 0.00000000 0.00000000 118.68 95.0950 501.61409631 501.61409631 1003.22819262 0.42107754 1.56027392 -0.38919002 -0.87534758 0.00054553 0.12479569 0.00000000 0.00000000 118.67 100.1000 501.61409631 501.61409631 1003.22819262 0.42107797 1.56027448 -0.38919300 -0.87534248 0.00057397 0.12476502 0.00000000 0.00000000 118.70 105.1050 501.61409631 501.61409631 1003.22819262 0.42107813 1.56029905 -0.38919503 -0.87536319 0.00059894 0.12473836 0.00000000 0.00000000 118.69 110.1100 501.61409631 501.61409631 1003.22819262 0.42107847 1.56029845 -0.38919570 -0.87536083 0.00062017 0.12471638 0.00000000 0.00000000 118.70 115.1150 501.61409631 501.61409631 1003.22819262 0.42107841 1.56033904 -0.38919480 -0.87540306 0.00063761 0.12469962 0.00000000 0.00000000 118.71 120.1200 501.61409631 501.61409631 1003.22819262 0.42107916 1.56031771 -0.38919118 -0.87538801 0.00065116 0.12468948 0.00000000 0.00000000 118.70 125.1250 501.61409631 501.61409631 1003.22819262 0.42107997 1.56028593 -0.38918628 -0.87536479 0.00066041 0.12468470 0.00000000 0.00000000 118.71 130.1300 501.61409631 501.61409631 1003.22819262 0.42108131 1.56032974 -0.38918249 -0.87541439 0.00066509 0.12468335 0.00000000 0.00000000 118.69 135.1350 501.61409631 501.61409631 1003.22819262 0.42108284 1.56029248 -0.38917728 -0.87538544 0.00066506 0.12468801 0.00000000 0.00000000 118.73 140.1400 501.61409631 501.61409631 1003.22819262 0.42108418 1.56026408 -0.38916767 -0.87537365 0.00066011 0.12470131 0.00000000 0.00000000 118.76 145.1450 501.61409631 501.61409631 1003.22819262 0.42108488 1.56023747 -0.38915662 -0.87536630 0.00065014 0.12472019 0.00000000 0.00000000 118.70 150.1500 501.61409631 501.61409631 1003.22819262 0.42108387 1.56021003 -0.38914660 -0.87535765 0.00063549 0.12474261 0.00000000 0.00000000 118.73 155.1550 501.61409631 501.61409631 1003.22819262 0.42108156 1.56017446 -0.38913625 -0.87534272 0.00061668 0.12476939 0.00000000 0.00000000 118.68 160.1600 501.61409631 501.61409631 1003.22819262 0.42107903 1.56015302 -0.38912411 -0.87534541 0.00059417 0.12480135 0.00000000 0.00000000 118.77 165.1650 501.61409631 501.61409631 1003.22819262 0.42107736 1.56012038 -0.38910983 -0.87534009 0.00056827 0.12483863 0.00000000 0.00000000 118.72 170.1700 501.61409631 501.61409631 1003.22819262 0.42107608 1.56005556 -0.38909509 -0.87530280 0.00053916 0.12487925 0.00000000 0.00000000 118.71 175.1750 501.61409631 501.61409631 1003.22819262 0.42107613 1.56000728 -0.38908255 -0.87527624 0.00050713 0.12492050 0.00000000 0.00000000 118.67 180.1800 501.61409631 501.61409631 1003.22819262 0.42107673 1.55997540 -0.38906992 -0.87526572 0.00047266 0.12496431 0.00000000 0.00000000 118.66 185.1850 501.61409631 501.61409631 1003.22819262 0.42107744 1.55994158 -0.38905424 -0.87525876 0.00043597 0.12501288 0.00000000 0.00000000 118.77 190.1900 501.61409631 501.61409631 1003.22819262 0.42107778 1.55988074 -0.38903849 -0.87522468 0.00039761 0.12506260 0.00000000 0.00000000 118.95 195.1950 501.61409631 501.61409631 1003.22819262 0.42107788 1.55983692 -0.38902566 -0.87520226 0.00035829 0.12511059 0.00000000 0.00000000 118.83 200.2000 501.61409631 501.61409631 1003.22819262 0.42107637 1.55979102 -0.38901387 -0.87517779 0.00031876 0.12515824 0.00000000 0.00000000 118.85 205.2050 501.61409631 501.61409631 1003.22819262 0.42107266 1.55978408 -0.38900195 -0.87519474 0.00027958 0.12520569 0.00000000 0.00000000 118.80 210.2100 501.61409631 501.61409631 1003.22819262 0.42106947 1.55969459 -0.38899058 -0.87512812 0.00024129 0.12525229 0.00000000 0.00000000 118.89 215.2150 501.61409631 501.61409631 1003.22819262 0.42106809 1.55967672 -0.38898030 -0.87512976 0.00020427 0.12529716 0.00000000 0.00000000 118.92 220.2200 501.61409631 501.61409631 1003.22819262 0.42106845 1.55965420 -0.38897448 -0.87511676 0.00016898 0.12533651 0.00000000 0.00000000 118.96 225.2250 501.61409631 501.61409631 1003.22819262 0.42107135 1.55964174 -0.38897342 -0.87510286 0.00013593 0.12536996 0.00000000 0.00000000 118.93 230.2300 501.61409631 501.61409631 1003.22819262 0.42107619 1.55962123 -0.38897390 -0.87507630 0.00010551 0.12539966 0.00000000 0.00000000 118.89 235.2350 501.61409631 501.61409631 1003.22819262 0.42108004 1.55960324 -0.38897590 -0.87505043 0.00007818 0.12542496 0.00000000 0.00000000 118.90 240.2400 501.61409631 501.61409631 1003.22819262 0.42108311 1.55955278 -0.38898055 -0.87498806 0.00005448 0.12544445 0.00000000 0.00000000 118.90 245.2450 501.61409631 501.61409631 1003.22819262 0.42108459 1.55954311 -0.38898694 -0.87496504 0.00003476 0.12545870 0.00000000 0.00000000 118.87 250.2500 501.61409631 501.61409631 1003.22819262 0.42108215 1.55956653 -0.38899502 -0.87497593 0.00001940 0.12546717 0.00000000 0.00000000 118.87 255.2550 501.61409631 501.61409631 1003.22819262 0.42107814 1.55961623 -0.38900450 -0.87501222 0.00000868 0.12546996 0.00000000 0.00000000 118.77 260.2600 501.61409631 501.61409631 1003.22819262 0.42107517 1.55966408 -0.38901395 -0.87504587 0.00000267 0.12546825 0.00000000 0.00000000 118.70 265.2650 501.61409631 501.61409631 1003.22819262 0.42107332 1.55970640 -0.38902451 -0.87507085 0.00000137 0.12546091 0.00000000 0.00000000 118.69 270.2700 501.61409631 501.61409631 1003.22819262 0.42107076 1.55976582 -0.38903904 -0.87510622 0.00000473 0.12544547 0.00000000 0.00000000 118.75 275.2750 501.61409631 501.61409631 1003.22819262 0.42106933 1.55980494 -0.38905713 -0.87511339 0.00001265 0.12542226 0.00000000 0.00000000 118.64 280.2800 501.61409631 501.61409631 1003.22819262 0.42106910 1.55985049 -0.38907589 -0.87512475 0.00002500 0.12539425 0.00000000 0.00000000 118.74 285.2850 501.61409631 501.61409631 1003.22819262 0.42106999 1.55991481 -0.38909441 -0.87515467 0.00004159 0.12536267 0.00000000 0.00000000 118.69 290.2900 501.61409631 501.61409631 1003.22819262 0.42107185 1.55997278 -0.38911507 -0.87517336 0.00006231 0.12532519 0.00000000 0.00000000 118.67 295.2950 501.61409631 501.61409631 1003.22819262 0.42107210 1.56004424 -0.38913794 -0.87520335 0.00008692 0.12528223 0.00000000 0.00000000 118.71 300.3000 501.61409631 501.61409631 1003.22819262 0.42107062 1.56013912 -0.38916007 -0.87526025 0.00011499 0.12523682 0.00000000 0.00000000 118.70 305.3050 501.61409631 501.61409631 1003.22819262 0.42106797 1.56021864 -0.38918104 -0.87530499 0.00014616 0.12518919 0.00000000 0.00000000 118.65 310.3100 501.61409631 501.61409631 1003.22819262 0.42106648 1.56028222 -0.38920268 -0.87533163 0.00017996 0.12513862 0.00000000 0.00000000 118.68 315.3150 501.61409631 501.61409631 1003.22819262 0.42106640 1.56034870 -0.38922453 -0.87535956 0.00021584 0.12508595 0.00000000 0.00000000 118.65 320.3200 501.61409631 501.61409631 1003.22819262 0.42106735 1.56041520 -0.38924574 -0.87538732 0.00025333 0.12503189 0.00000000 0.00000000 118.68 325.3250 501.61409631 501.61409631 1003.22819262 0.42107006 1.56050516 -0.38926548 -0.87543991 0.00029205 0.12497823 0.00000000 0.00000000 118.70 330.3300 501.61409631 501.61409631 1003.22819262 0.42107163 1.56053017 -0.38928445 -0.87543044 0.00033146 0.12492489 0.00000000 0.00000000 118.67 335.3350 501.61409631 501.61409631 1003.22819262 0.42107056 1.56063887 -0.38930322 -0.87550707 0.00037094 0.12487105 0.00000000 0.00000000 118.70 340.3400 501.61409631 501.61409631 1003.22819262 0.42106805 1.56068124 -0.38931867 -0.87552504 0.00040998 0.12482054 0.00000000 0.00000000 118.65 345.3450 501.61409631 501.61409631 1003.22819262 0.42106553 1.56073484 -0.38932935 -0.87556350 0.00044805 0.12477549 0.00000000 0.00000000 118.64 350.3500 501.61409631 501.61409631 1003.22819262 0.42106292 1.56077625 -0.38933626 -0.87559606 0.00048453 0.12473447 0.00000000 0.00000000 118.66 355.3550 501.61409631 501.61409631 1003.22819262 0.42106174 1.56079203 -0.38933920 -0.87560871 0.00051884 0.12469877 0.00000000 0.00000000 118.67 360.3600 501.61409631 501.61409631 1003.22819262 0.42106355 1.56081391 -0.38933833 -0.87563181 0.00055050 0.12466927 0.00000000 0.00000000 118.75 365.3650 501.61409631 501.61409631 1003.22819262 0.42106652 1.56078227 -0.38933334 -0.87560697 0.00057886 0.12464571 0.00000000 0.00000000 118.70 370.3700 501.61409631 501.61409631 1003.22819262 0.42106866 1.56076423 -0.38932539 -0.87560159 0.00060349 0.12462792 0.00000000 0.00000000 118.73 375.3750 501.61409631 501.61409631 1003.22819262 0.42107062 1.56072329 -0.38931781 -0.87557284 0.00062431 0.12461367 0.00000000 0.00000000 118.70 380.3800 501.61409631 501.61409631 1003.22819262 0.42107223 1.56074826 -0.38931064 -0.87560910 0.00064087 0.12460284 0.00000000 0.00000000 118.67 385.3850 501.61409631 501.61409631 1003.22819262 0.42107309 1.56068321 -0.38930293 -0.87555669 0.00065304 0.12459646 0.00000000 0.00000000 118.67 390.3900 501.61409631 501.61409631 1003.22819262 0.42107334 1.56065836 -0.38929541 -0.87554509 0.00066096 0.12459452 0.00000000 0.00000000 118.63 395.3950 501.61409631 501.61409631 1003.22819262 0.42107296 1.56061329 -0.38928621 -0.87551710 0.00066447 0.12459851 0.00000000 0.00000000 118.70 400.4000 501.61409631 501.61409631 1003.22819262 0.42107262 1.56060633 -0.38927361 -0.87553318 0.00066348 0.12460959 0.00000000 0.00000000 118.69 405.4050 501.61409631 501.61409631 1003.22819262 0.42107510 1.56051449 -0.38925525 -0.87547300 0.00065809 0.12463077 0.00000000 0.00000000 118.76 410.4100 501.61409631 501.61409631 1003.22819262 0.42107974 1.56042253 -0.38923200 -0.87541935 0.00064814 0.12466041 0.00000000 0.00000000 118.70 415.4150 501.61409631 501.61409631 1003.22819262 0.42108513 1.56034616 -0.38920822 -0.87538062 0.00063355 0.12469427 0.00000000 0.00000000 118.69 420.4200 501.61409631 501.61409631 1003.22819262 0.42108705 1.56022289 -0.38918335 -0.87530021 0.00061455 0.12473318 0.00000000 0.00000000 118.69 425.4250 501.61409631 501.61409631 1003.22819262 0.42108709 1.56010981 -0.38915145 -0.87524489 0.00059147 0.12478214 0.00000000 0.00000000 118.69 430.4300 501.61409631 501.61409631 1003.22819262 0.42108562 1.56002300 -0.38911083 -0.87523337 0.00056464 0.12484217 0.00000000 0.00000000 118.67 435.4350 501.61409631 501.61409631 1003.22819262 0.42108274 1.55991491 -0.38907001 -0.87520213 0.00053458 0.12490538 0.00000000 0.00000000 118.69 440.4400 501.61409631 501.61409631 1003.22819262 0.42107987 1.55985378 -0.38903737 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1.55930946 -0.38885322 -0.87498336 0.00023561 0.12537458 0.00000000 0.00000000 118.67 480.4800 501.61409631 501.61409631 1003.22819262 0.42108135 1.55928433 -0.38884395 -0.87497558 0.00019842 0.12541812 0.00000000 0.00000000 118.69 485.4850 501.61409631 501.61409631 1003.22819262 0.42107902 1.55926525 -0.38884196 -0.87496117 0.00016317 0.12545374 0.00000000 0.00000000 118.70 490.4900 501.61409631 501.61409631 1003.22819262 0.42107856 1.55924757 -0.38884222 -0.87494267 0.00013048 0.12548541 0.00000000 0.00000000 118.73 495.4950 501.61409631 501.61409631 1003.22819262 0.42107941 1.55921514 -0.38884283 -0.87490769 0.00010074 0.12551405 0.00000000 0.00000000 118.71 500.5000 501.61409631 501.61409631 1003.22819262 0.42108287 1.55921640 -0.38884344 -0.87490394 0.00007432 0.12553954 0.00000000 0.00000000 118.71 505.5050 501.61409631 501.61409631 1003.22819262 0.42108658 1.55921183 -0.38884635 -0.87488977 0.00005154 0.12555933 0.00000000 0.00000000 118.69 510.5100 501.61409631 501.61409631 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0.00000000 118.61 990.9900 501.61409631 501.61409631 1003.22819262 0.42107873 1.56000174 -0.38914169 -0.87515305 0.00033785 0.12503389 0.00000000 0.00000000 118.67 995.9950 501.61409631 501.61409631 1003.22819262 0.42108249 1.55988057 -0.38909306 -0.87511681 0.00029843 0.12511336 0.00000000 0.00000000 118.69 1001.0000 501.61409631 501.61409631 1003.22819262 0.42108490 1.55974541 -0.38904358 -0.87506952 0.00025957 0.12519302 0.00000000 0.00000000 118.64 # CHECKPOINT INFO: MODE=WRITE: DATA SIZE= 0.26 GB # CHECKPOINT INFO: MPI_NP_PER_IO_GROUP=24. # CHECKPOINT INFO: WRITE TIME= 1.74 sec # CHECKPOINT INFO: WRITE SPEED= 0.148 GB/sec # CREATING CHECK STAMP: `jj-r2_check.stamp`