Yes, I'm running the NVT AIMD with CSVR thermostat. I retest the restart by:
3) run it as a new cp2k input.
At first 20 steps I restart twice, the conserved quantity in job-1.ener didn't change much, so I kept going, thought maybe something wrong in previous results, but now I find it again!
# Step Nr. Time[fs] Kin.[a.u.] Temp[K] Pot.[a.u.] Cons Qty[a.u.] UsedTime[s]
0 0.000000 1.032460972 1050.000000000 -5252.270968874 -5251.236845323 0.000000000
1 2.000000 1.024169045 1041.567212816 -5252.262779703 -5251.236783073 549.103385597
2 4.000000 1.000225683 1017.217110463 -5252.238865354 -5251.236649738 75.174283445
3 6.000000 0.962585755 978.937770912 -5252.201197068 -5251.236464219 75.276107159
4 8.000000 0.914139020 929.668042256 -5252.152678756 -5251.236242883 80.904220160
5 10.000000 0.858349805 872.931103351 -5252.096800812 -5251.236013521 81.651709082
6 12.000000 0.798817071 812.387051503 -5252.037189382 -5251.236577364 159.194752857
7 14.000000 0.738788139 751.338371673 -5251.977118187 -5251.236413665 91.375151295
8 16.000000 0.680804621 692.369853226 -5251.919140037 -5251.236308521 74.983826838
9 18.000000 0.626572804 637.216768321 -5251.864949209 -5251.236249504 80.199529896
10 20.000000 0.577060761 586.863634428 -5251.815498133 -5251.236220285 80.784068426
12 24.000000 0.493853772 502.243159679 -5251.732424590 -5251.236740696 32.858954906
14 28.000000 0.432695037 440.045484111 -5251.671400687 -5251.236738308 27.433015823
16 32.000000 0.393161626 399.840496442 -5251.632027100 -5251.236783473 27.735265017
18 36.000000 0.372419740 378.746255003 -5251.611458500 -5251.236857986 27.595964909
20 40.000000 0.366530714 372.757188783 -5251.605688750 -5251.236889422 27.560681105
22 44.000000 0.374105358 380.460508298 -5251.613310180 -5251.236855805 30.051438093
24 48.000000 0.396871757 403.613653710 -5251.636163434 -5251.236866827 30.245694876
26 52.000000 0.433394501 440.756831162 -5251.672931132 -5251.237038189 30.459151983
28 56.000000 0.473083704 481.120257471 -5251.712966043 -5251.237311773 30.349794149
30 60.000000 0.499645958 508.133741041 -5251.739800557 -5251.237514914 24.879560947
...
2500 5000.000000 0.977387883 993.991351782 -5251.121072480 -5251.235846203 31.155438900
2502 5004.000000 0.968080556 984.525915236 -5251.110987627 -5251.235803922 30.739439011
2504 5008.000000 0.967181215 983.611296835 -5251.109342243 -5251.235789834 30.852909803
2506 5012.000000 0.975180129 991.746093257 -5251.116656932 -5251.235841020 30.885576010
2508 5016.000000 0.988735531 1005.531768656 -5251.129541711 -5251.235914681 31.094295979
2510 5020.000000 1.003008497 1020.047198254 -5251.143101180 -5251.235956305 33.428025007
2512 5024.000000 1.014004705 1031.230205110 -5251.154416285 -5250.138425674 39.710912943
2514 5028.000000 1.023493085 1040.879769453 -5251.164161323 -5250.138356331 31.283514023
2516 5032.000000 1.035539764 1053.131093440 -5251.176477561 -5250.138296787 28.679327965
2518 5036.000000 1.053082568 1070.971906866 -5251.194412595 -5250.138355038 31.430841208
2520 5040.000000 1.072657780 1090.879654295 -5251.214447055 -5250.138473518 31.346939087
2522 5044.000000 1.087218443 1105.687668194 -5251.229417942 -5250.138536010 31.335617065
2524 5048.000000 1.092733336 1111.296246422 -5251.235274793 -5250.138525122 31.344972849
2526 5052.000000 1.089722800 1108.234568200 -5251.232575896 -5250.138481510 31.441764832