Subject: Error found in Freq calculation of G98

From: "Wing Lok Abe Kurtz" <[email-masked]>
Date: Mon, 11 Dec 2000 15:19:21 +0800

Dear Netters,

I have carried out a Freq. calculation using G98.
However, the job is killed and the following error is listed.
I have checked that all the files (i.e. .int .d2e .scr .ref .chk) are presented in the machine.
Could you give me some ideas and solutions on it?
Thank you for your help.
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 Leave Link  601 at Sun Nov  5 21:20:49 2000, MaxMem=  117964800 cpu:      54.2
 (Enter /usr/local/g98.a.7/g98/l701.exe)
 Compute integral second derivatives.
 ... and contract with generalized density number  0.
 FileIO operation on non-existent file.
FileIO: IOper= 2 IFilNo(1)=  -690 Len=           1 IPos=           1 Q=    1099511602512

 dumping /fiocom/, unit = 1 NFiles =    73 SizExt =    524288 WInBlk =       512
                   defal = T LstWrd =    73135616 FType=2 FMxFil=10000

 Number           0          0          0          0          0        501        502        503
 Base       6013440    4384768    6935040     808960   72931328     183296     192512     294400
 End        6297088    4385792    6936064     809984   73135616     184296     236612     294959
 End1       6297088    4385792    6936064     809984   73135616     184320     237056     295424
 Wr Pntr    6013440    4384768    6935040     808960   72931328     183296     192512     294400
 Rd Pntr    6013440    4384768    6935040     808960   72931328     183296     192512     294400

 Number         508        511        514        515        516        517        518        520
 Base        804352     519680    2412544    1130496     809984    4332544    3371008     808448
 End         804382     588688    2732944    2412096    1130384    4382144    4332208     808458
 End1        804864     588800    2733056    2412544    1130496    4382208    4332544     808960
 Wr Pntr     804352     519680    2412544    1130496     809984    4332544    3371008     808448
 Rd Pntr     804352     519680    2412544    1130496     809984    4332544    3371008     808448

 Number         521        522        523        524        526        528        530        532
 Base       4382208    4706304    4382720    6297088    4708352    6936064    4385792    7256576
 End        4382243    4707898    4384314    6934688    5345952    7256464    4706192    7576976
 End1       4382720    4708352    4384768    6935040    5346304    7256576    4706304    7577088
 Wr Pntr    4382208    4706304    4382720    6297088    4708352    6936064    4385792    7256576
 Rd Pntr    4382208    4706304    4382720    6297088    4708352    6936064    4385792    7256576

 Number         534        536        538        545        547        548        551        552
 Base       5346304    5666816    7577088    5992960    5990912    9493504     791552     790528
 End        5666704    5987216    7897488    5992988    5992506   10131104     791590     790560
 End1       5666816    5987328    7897600    5993472    5992960   10131456     792064     791040
 Wr Pntr    5346304    5666816    7577088    5992960    5990912    9493504     791552     790528
 Rd Pntr    5346304    5666816    7577088    5992960    5990912    9493504     791590     790528

 Number         559        562        565        569        571        575        577        579
 Base        798720     588800     803840    5989376    9172992     305664     802304     791040
 End         798722     790228     804096    5989378    9493392     519201     802354     791102
 End1        799232     790528     804352    5989888    9493504     519680     802816     791552
 Wr Pntr     798720     588800     803840    5989376    9172992     305664     802304     791040
 Rd Pntr     798720     790228     804096    5989376    9493392     305664     802304     791040

 Number         580        581        582        583        584        585        588        590
 Base        796672     802816     799744     799232     804864    5995520   69726208   10131456
 End         798272     803680     802144     799295     805236    6012911   70687408   69725856
 End1        798720     803840     802304     799744     805376    6012928   70687744   69726208
 Wr Pntr     796672     802816     799744     799232     804864    6012911   69726208   10131456
 Rd Pntr     796672     802816     799744     799232     804864    6012911   69726208   10131456

 Number         592        593        598        603        605        606        607        619
 Base      70687744   71649280     237056   72610816    6012928    5987328    5989888     805376
 End       71648944   72610480     237058   72931217    6012991    5988922    5990685     808186
 End1      71649280   72610816     237568   72931328    6013440    5989376    5990912     808448
 Wr Pntr   70687744   71649280     237056   72610816    6012928    5987328    5989888     805376
 Rd Pntr   70687744   71649280     237056   72931217    6012928    5987328    5989888     805376

 Number         634        665        670        674        685        689        694        989
 Base       7897600     290304     792064     293888    2733056     295424    5993472     184320
 End        9172800     293700     796619     294268    3370656     305424    5995066     188320
 End1       9172992     293888     796672     294400    3371008     305664    5995520     188416
 Wr Pntr    7897600     290304     792064     293888    2733056     295424    5993472     184320
 Rd Pntr    7897600     290304     796619     293888    2733056     295441    5993472     184320

 Number         991        992        993        994        995        996        997        998
 Base        188928     188416     182784      40448     182272      41472      41984      40960
 End         192210     188425     182984      40478     182292      41572     181992      41060
 End1        192512     188928     183296      40960     182784      41984     182272      41472
 Wr Pntr     188928     188416     182784      40448     182272      41472      41984      40960
 Rd Pntr     192210     188425     182984      40478     182292      41572     181992      41060

 Number         999
 Base        237568
 End         290072
 End1        290304
 Wr Pntr     237568
 Rd Pntr     237569

 dumping /fiocom/, unit = 2 NFiles =    36 SizExt =         0 WInBlk =       512
                   defal = F LstWrd =     7295488 FType=2 FMxFil=10000

 Number           0          0          0          0          0          0          0          0
 Base       3289551     998579    1362472    1364068    3579879    1364134    3277101    4236104
 End        3575324    1317372    1362474    1364070    3597565    1367027    3279551    7295488
 End1       3575324    1317372    1362474    1364070    3597565    1367027    3279551    7295488
 Wr Pntr    3289551     998579    1362472    1364068    3579879    1364134    3277101    4236104
 Rd Pntr    3289551     998579    1362472    1364068    3579879    1364134    3277101    4236104

 Number         501        502        503        508        511        520        521        522
 Base       1317372    1318372    3597945      40448    1367027    1785439    1999056    1362474
 End        1318372    1362472    3598504      40478    1436035    1785449    1999091    1364068
 End1       1318372    1362472    3598504      40478    1436035    1785449    1999091    1364068
 Wr Pntr    1317372    1318372    3597945      40448    1367027    1785439    1999056    1362474
 Rd Pntr    1317372    1318372    3597945      40448    1367027    1785439    1999056    1362474

 Number         524        526        551        552        561        562        575        584
 Base       3598504      40578    1785481    1785449    1364133    1584011    1785519    1439431
 End        4236104     678178    1785519    1785481    1364134    1785439    1999056    1439803
 End1       4236104     678178    1785519    1785481    1364134    1785439    1999056    1439803
 Wr Pntr    3598504      40578    1785481    1785449    1364133    1584011    1785519    1439431
 Rd Pntr    3598504      40578    1785481    1785449    1364133    1584011    1785519    1439431

 Number         603        605        619        634        665        670        674        689
 Base        678178    1364070    3274291    1999091    1436035    3575324    3597565    3279551
 End         998579    1364133    3277101    3274291    1439431    3579879    3597945    3289551
 End1        998579    1364133    3277101    3274291    1439431    3579879    3597945    3289551
 Wr Pntr     678178    1364070    3274291    1999091    1436035    3575324    3597565    3279551
 Rd Pntr     678178    1364070    3274291    1999091    1436035    3575324    3597565    3279551

 Number         989        993        997        998
 Base       1439803    1443803    1444003      40478
 End        1443803    1444003    1584011      40578
 End1       1443803    1444003    1584011      40578
 Wr Pntr    1439803    1443803    1444003      40478
 Rd Pntr    1439803    1443803    1444003      40478

 dumping /fiocom/, unit = 3 NFiles =     1 SizExt =    524288 WInBlk =       512
                   defal = T LstWrd =   692426240 FType=2 FMxFil=10000

 Number           0
 Base         40448
 End      692426240
 End1     692426240
 Wr Pntr      40448
 Rd Pntr      40448
 Error termination in NtrErr:
 NtrErr Called from FileIO.

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Best Regards,

Kurtz Chiu
Dept. of Chemistry,
The Chinese University of Hong Kong
Hong Kong SAR
China