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Author Topic: Long int too large to convert to int  (Read 4684 times)

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Offline medeepak

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Long int too large to convert to int
« on: December 8, 2010, 11:49 »
Hi when i was trying to calculate Density of States for an armchair GNR
i get this error

Traceback (most recent call last):
  File "/tmp/4171684607458975.py", line 347, in <module>
    nlsave('analysis.nc', bulk_configuration)
  File "./zipdir/NL/IO/NLSaveUtilities.py", line 212, in nlsave
  File "./zipdir/NL/IO/NetCDFFile.py", line 170, in close

Timing:                          Total     Per Step        %

--------------------------------------------------------------------------------

Diagonalization         :     477.41 s      36.72 s      82.19% |========================================|
Real Space Density      :       6.89 s       0.49 s       1.19% ||
Hartree Potential       :       1.25 s       0.09 s       0.22% |
Mixing                  :       0.00 s       0.00 s       0.00% |
Laplace Kernel          :       0.00 s       0.00 s       0.00% |
--------------------------------------------------------------------------------
Total                   :     580.83 s (9m40.83s)
  File "./zipdir/NL/IO/NetCDFFile.py", line 194, in flush
  File "./zipdir/NL/IO/NetCDFFile.py", line 207, in _write
  File "./zipdir/NL/IO/NetCDFFile.py", line 267, in _write_var_array
  File "./zipdir/NL/IO/NetCDFFile.py", line 310, in _write_var_data
  File "./zipdir/NL/IO/NetCDFFile.py", line 518, in _pack_begin
  File "./zipdir/NL/IO/NetCDFFile.py", line 523, in _pack_int
OverflowError: long int too large to convert to int
NanoLanguageScript execution failure

how to rectify this
« Last Edit: December 8, 2010, 15:15 by Anders Blom »
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Offline medeepak

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Re: Long int too large to convert to int
« Reply #1 on: December 8, 2010, 11:57 »
in fact i am getting this error for many structures with around 300 atoms

Moderator edit: Split topic
« Last Edit: December 8, 2010, 15:31 by Anders Blom »
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Offline medeepak

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Re: Long int too large to convert to int
« Reply #2 on: December 8, 2010, 16:08 »
hi
i did the simulation in my laptop with windows OS and the simulation runs smoothly without any problem
the error occurs if i run it in lab's workstation with debian OS
is it OS specific error?
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Offline Nordland

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Re: Long int too large to convert to int
« Reply #3 on: December 8, 2010, 19:50 »
I have never seen this before, and I have calculated on more than 2000 atoms. What kind of operating system are you using?
Can you give more details on what you are doing when you see this error?
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Offline medeepak

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Re: Long int too large to convert to int
« Reply #4 on: December 9, 2010, 04:45 »
Hi

this error comes after Huckel calculation is over
it shows Huckel calculation finished and then sometime later this error comes
same error comes if i run Atk DFT instead of huckel calculation as well
i tried reinstalling the software
still the problem persists
i am using debian 5.0 OS
« Last Edit: December 9, 2010, 07:47 by medeepak »
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