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请老师们解答一下为什么会出现这种错误，该如何解决呢
下面是文件的一部分内容：%nprocshared=48
Will use up to 48 processors via shared memory.
%chk=MA54.chk
-------------------------------------------------------------
#p opt freq b3lyp/6-311++g(d,p) scrf=(solvent=water) em=gd3bj
-------------------------------------------------------------
1/14=-1,18=20,19=15,26=3,38=1/1,3;
2/9=110,12=2,17=6,18=5,40=1/2;
3/5=4,6=6,7=1111,11=2,16=1,25=1,30=1,70=2201,71=1,72=1,74=-5,124=41/1,2,3;
4//1;
5/5=2,38=5,53=1/2;
6/7=2,8=2,9=2,10=2,28=1/1;
7//1,2,3,16;
1/14=-1,18=20,19=15,26=3/3(2);
2/9=110/2;
99//99;
2/9=110/2;
3/5=4,6=6,7=1111,11=2,16=1,25=1,30=1,70=2205,71=1,72=1,74=-5,124=41/1,2,3;
dumping /fiocom/, unit = 1 NFiles = 89 SizExt = 524288 WInBlk = 512
defal = T LstWrd = 131318272 FType=2 FMxFil=10000
Number 0 0 0 0 0 0
Base 38480560 53762683 47739904 543232 184320 48082944
End 38480896 53763072 47740928 544256 185344 48083456
End1 38480896 53763072 47740928 544256 185344 48083456
Wr Pntr 38480560 53762683 47739904 543232 184320 48082944
Rd Pntr 38480560 53762683 47739904 543232 184320 48082944
Length 336 389 1024 1024 1024 512
Number 0 0 0 0 0 0
Base 42695168 48969216 53419008 41149440 46017536 41731132
End 43337216 49074176 53427712 41333248 46683648 42026496
End1 43337216 49074176 53427712 41333248 46683648 42026496
Wr Pntr 42695168 48969216 53419008 38480560 46017536 41731132
Rd Pntr 42695168 48969216 53419008 38480560 46017536 41731132
Length 642048 104960 8704 183808 666112 295364
Number 0 0 0 0 0 501
Base 48076288 527872 49744896 35257856 53764096 43520
End 48079872 530432 50411008 37805931 131318272 44520
End1 48079872 530432 50411008 37805931 131318272 44544
Wr Pntr 48076288 527872 49744896 35924526 53764096 43520
Rd Pntr 48076288 527872 49744896 35341292 53764096 43520
Length 3584 2560 666112 2548075 77554176 1000
Number 502 503 508 511 514 515
Base 521728 180224 544256 334848 45682176 44342272
End 527060 180756 544286 377921 46017147 45682156
End1 527360 181248 544768 378368 46017536 45682176
Wr Pntr 521728 180224 544256 334848 45682176 44342272
Rd Pntr 521728 180224 544256 334848 46017147 44342272
Length 5332 532 30 43073 334971 1339884
Number 516 517 518 520 521 522
Base 43337216 47689216 46684160 542720 515072 48079872
End 44342129 47737478 47689073 542730 515107 48080687
End1 44342272 47737856 47689216 543232 515584 48080896
Wr Pntr 43337216 47689216 46684160 542720 515072 48080686
Rd Pntr 43337216 47689216 46684160 542720 515072 48079872
Length 1004913 48262 1004913 10 35 815
Number 523 524 526 528 530 532
Base 47737856 39148032 42026496 49074176 47740928 49409536
End 47739484 39814702 42692348 49409147 48075899 49744507
End1 47739904 39815168 42692608 49409536 48076288 49744896
Wr Pntr 47737856 39814702 42026496 49074176 47740928 49409536
Rd Pntr 47737856 39814702 42026496 49074176 47740928 49409536
Length 1628 666670 665852 334971 334971 334971
Number 534 536 538 551 552 559
Base 50411008 50746368 51081728 513024 512000 76288
End 50745979 51081339 51416699 513062 512028 76290
End1 50746368 51081728 51417088 513536 512512 76800
Wr Pntr 50411008 51081339 51416699 513024 512000 76288
Rd Pntr 50411008 50746368 51081728 513062 512000 76288
Length 334971 334971 334971 38 28 2
Number 561 562 563 565 571 575
Base 513536 504832 48081920 530944 53427712 187904
End 513537 511529 48082738 531266 53762683 334357
End1 514048 512000 48082944 531456 53762683 334848
Wr Pntr 513536 504832 48081920 530944 53427712 187904
Rd Pntr 513536 511529 48081920 530944 53427712 187904
Length 1 6697 818 322 334971 146453
Number 577 579 580 581 582 583
Base 530432 512512 72192 74240 42692608 527360
End 530484 512571 73855 75975 42695062 527420
End1 530944 513024 74240 76288 42695168 527872
Wr Pntr 530432 512512 72192 74240 42692608 527360
Rd Pntr 530484 512512 72192 74240 42692608 527360
Length 52 59 1663 1735 2454 60
Number 584 598 603 605 606 619
Base 531456 76800 53763072 53763584 48080896 531968
End 531810 76803 53763073 53763585 48081711 540517
End1 531968 77312 53763584 53764096 48081920 540672
Wr Pntr 531456 76800 53763072 53763584 48081711 531968
Rd Pntr 531456 76800 53763072 53763584 48080896 531968
Length 354 3 1 1 815 8549
Number 634 665 670 672 674 685
Base 37805931 181248 515584 41984 185344 48302080
End 38480560 183880 521581 42347 185907 48968750
End1 38480560 184320 521728 42496 186368 48969216
Wr Pntr 37805931 181248 515584 41984 185344 48302080
Rd Pntr 37805931 181248 521581 41984 185344 48968750
Length 674629 2632 5997 363 563 666670
Number 695 698 701 710 711 729
Base 540672 514560 378368 544768 41333248 51417088
End 542529 514914 504401 548528 41731132 53418734
End1 542720 515072 504832 548864 41731132 53419008
Wr Pntr 540672 514560 378368 544768 41333248 51417088
Rd Pntr 540672 514560 378368 544768 41333248 51417088
Length 1857 354 126033 3760 397884 2001646
Number 742 755 761 783 989 991
Base 46683648 548864 514048 48083456 44544 65536
End 46683680 35257788 514049 48301742 64544 72098
End1 46684160 35257856 514560 48302080 65024 72192
Wr Pntr 46683648 548864 514048 48083456 44544 65536
Rd Pntr 46683648 548864 514048 48083456 44544 72098
Length 32 34708924 1 218286 20000 6562
Number 992 993 994 995 996 997
Base 65024 43008 40448 42496 41472 186368
End 65033 43208 40478 42516 41672 187504
End1 65536 43520 40960 43008 41984 187904
Wr Pntr 65024 43008 40448 42496 41472 186368
Rd Pntr 65033 43208 40478 42516 41672 187504
Length 9 200 30 20 200 1136
Number 998 999 2551 2556 9999
Base 40960 77312 38480896 39815168 40482304
End 41160 179816 39147566 40481838 41148974
End1 41472 180224 39148032 40482304 41149440
Wr Pntr 40960 77312 39147566 40481838 41148974
Rd Pntr 41160 79816 39147566 40481838 41148974
Length 200 102504 666670 666670 666670
dumping /fiocom/, unit = 2 NFiles = 54 SizExt = 0 WInBlk = 512
defal = F LstWrd = 7257600 FType=2 FMxFil=10000
Number 0 0 0 0 0 0
Base 2967415 3826546 715307 2291384 5908904 6585171
End 3300817 3896057 716935 2957236 5909722 7257600
End1 3300817 3896057 716935 2957236 5909722 7257600
Wr Pntr 2967415 3826546 715307 2291384 5908904 6585171
Rd Pntr 2967415 3826546 715307 2291384 5908904 6585171
Length 333402 69511 1628 665852 818 672429
Number 501 502 503 508 511 520
Base 1386877 1387877 3301743 40448 1399206 1475208
End 1387877 1393209 3302275 40478 1442279 1475218
End1 1387877 1393209 3302275 40478 1442279 1475218
Wr Pntr 1386877 1387877 3301743 40448 1399206 1475208
Rd Pntr 1386877 1387877 3301743 40448 1399206 1475208
Length 1000 5332 532 30 43073 10
Number 521 522 524 526 528 530
Base 1625497 2965787 5243052 1625532 3897779 4232750
End 1625532 2967415 5908904 2291384 4232750 4567721
End1 1625532 2967415 5908904 2291384 4232750 4567721
Wr Pntr 1625497 2965787 5243052 1625532 3897779 4232750
Rd Pntr 1625497 2967415 5243052 1625532 3897779 4232750
Length 35 1628 665852 665852 334971 334971
Number 532 534 536 538 551 552
Base 4567721 4902692 716935 1051906 1475246 1475218
End 4902692 5237663 1051906 1386877 1475284 1475246
End1 4902692 5237663 1051906 1386877 1475284 1475246
Wr Pntr 4567721 4902692 716935 1051906 1475246 1475218
Rd Pntr 4567721 4902692 1051906 1386877 1475246 1475218
Length 334971 334971 334971 334971 38 28
Number 561 562 563 565 575 577
Base 1468458 1468459 5237663 5238481 1475284 1475156
End 1468459 1475156 5238481 5238803 1621737 1475208
End1 1468459 1475156 5238481 5238803 1621737 1475208
Wr Pntr 1468458 1468459 5237663 5238481 1475284 1475156
Rd Pntr 1468458 1468459 5237663 5238481 1475284 1475156
Length 1 6697 818 322 146453 52
Number 579 580 581 582 583 584
Base 3896057 3896116 5238803 5240538 5242992 1444911
End 3896116 3897779 5240538 5242992 5243052 1445265
End1 3896116 3897779 5240538 5242992 5243052 1445265
Wr Pntr 3896057 3896116 5238803 5240538 5242992 1444911
Rd Pntr 3896057 3896116 5238803 5240538 5242992 1444911
Length 59 1663 1735 2454 60 354
Number 603 605 619 634 665 670
Base 2965786 2965785 2957236 40678 1442279 1393209
End 2965787 2965786 2965785 715307 1444911 1399206
End1 2965787 2965786 2965785 715307 1444911 1399206
Wr Pntr 2965786 2965785 2957236 40678 1442279 1393209
Rd Pntr 2965786 2965785 2957236 715307 1442279 1399206
Length 1 1 8549 674629 2632 5997
Number 672 674 695 698 701 710
Base 3300817 3301180 1445265 3302275 3302629 1621737
End 3301180 3301743 1447122 3302629 3428662 1625497
End1 3301180 3301743 1447122 3302629 3428662 1625497
Wr Pntr 3300817 3301180 1445265 3302275 3302629 1621737
Rd Pntr 3300817 3301180 1445265 3302275 3302629 1621737
Length 363 563 1857 354 126033 3760
Number 711 780 989 993 997 998
Base 3428662 5909722 1447122 1467122 1467322 40478
End 3826546 6585171 1467122 1467322 1468458 40678
End1 3826546 6585171 1467122 1467322 1468458 40678
Wr Pntr 3428662 5909722 1447122 1467122 1467322 40478
Rd Pntr 3428662 6585171 1447122 1467122 1467322 40678
Length 397884 675449 20000 200 1136 200
dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512
defal = T LstWrd = 65536 FType=2 FMxFil=10000
Number 0
Base 40448
End 65536
End1 65536
Wr Pntr 40448
Rd Pntr 40448
Length 25088
Error termination in NtrErr:
NtrErr Called from FileIO.
4/5=5,16=3,69=1/1;
5/5=2,38=5,53=1/2;
7//1,2,3,16;
1/14=-1,18=20,19=15,26=3/3(-5);
2/9=110/2;
6/7=2,8=2,9=2,10=2,19=2,28=1/1;
99/9=1/99;
Leave Link 1 at Tue May 27 09:50:22 2025, MaxMem= 0 cpu: 2.9
(Enter /public/home/hpc218159/g09/l101.exe)
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发表于 Post on 2025-5-28 11:21:05
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