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formchk file

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Member
Registered: Apr 2012
Posts: 1
Hi
My g09 job end with normal termination when i issued the command formchk to the checkpoint file
the formatted checkpoint file was not created but ended with segmentaion error i show message below

Read checkpoint file heavy.chk
Write formatted file heavy.fchk
Operation on file out of range.
FileIO: IOper= 2 IFilNo(1)=-20998 Len= 200 IPos= 0 Q= 5808896


dumping /fiocom/, unit = 2 NFiles = 33 SizExt = 32768 WInBlk = 512
defal = F LstWrd = 2936832 FType=2 FMxFil=10000

Number 0 0 501 502 503 508 511 512
Base 44710 2537368 626846 627846 2522338 43700 671946 888709
End 432806 2936832 627846 671946 2522599 43730 882873 889244
End1 432806 2936832 627846 671946 2522599 43730 882873 889244
Wr Pntr 44710 2537368 626846 627846 2522338 43700 671946 888709
Rd Pntr 44710 2537368 626846 627846 2522338 43700 671946 888709
Length 388096 399464 1000 44100 261 30 210927 535

Number 520 521 522 524 526 536 538 551
Base 1480752 2034916 43830 2034951 2228551 432806 529826 1480797
End 1480762 2034951 44710 2228551 2422151 529826 626846 1480835
End1 1480762 2034951 44710 2228551 2422151 529826 626846 1480835
Wr Pntr 1480752 2034916 43830 2034951 2228551 432806 529826 1480797
Rd Pntr 1480752 2034916 43830 2034951 2228551 432806 529826 1480797
Length 10 35 880 193600 193600 97020 97020 38

Number 552 562 575 584 603 605 619 665
Base 1480762 1274224 1480835 889244 2425105 2425084 2422151 882873
End 1480797 1480752 2034916 889364 2522126 2425105 2425084 888709
End1 1480797 1480752 2034916 889364 2522126 2425105 2425084 888709
Wr Pntr 1480762 1274224 1480835 889244 2425105 2425084 2422151 882873
Rd Pntr 1480762 1274224 1480835 889244 2425105 2425084 2422151 882873
Length 35 206528 554081 120 97021 21 2933 5836

Number 670 674 695 698 701 989 993 997
Base 40448 2522126 889364 2522599 2522719 890012 894012 894212
End 43700 2522338 890012 2522719 2537368 894012 894212 1274224
End1 43700 2522338 890012 2522719 2537368 894012 894212 1274224
Wr Pntr 40448 2522126 889364 2522599 2522719 890012 894012 894212
Rd Pntr 40448 2522126 889364 2522599 2522719 890012 894012 894212
Length 3252 212 648 120 14649 4000 200 380012

Number 998
Base 43730
End 43830
End1 43830
Wr Pntr 43730
Rd Pntr 43730
Length 100
Error termination in NtrErr:
NtrErr Called from FileIO.
Segmentation fault
can anyone help me out?
Member
Registered: Dec 2012
Posts: 3
Hi
I suggest that omit the formchk from your commands.
Let the chk file is made then try to convert your chk to fchk.
after finishing the job use following in Linux:
formchk -o filename.fchk

I hope it could be helpful.
Illya
Member
Registered: Mar 2013
Posts: 26
The following and enter formchk molecule chk molecule fch . Do this for as many files as you are interested in moving to the PC . A window will open that allows you to browse for checkpoint files .



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