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New user, problem with running Bader
Posted: Tue Sep 20, 2011 2:17 am
by abood1160
Hello,
when i downloaded the windows version of the program I found only one compressed file "bader"which is not executable!!
I have windows 7 86X
Thanks
Re: New user, problem with running Bader
Posted: Tue Sep 20, 2011 3:39 am
by graeme
Ah, I see that the windows binary was messed up. Can you see if it works now?
There should be a bader.exe in the tar file now, which I hope works in general on windows. I have only tested it on an old winxp virtual machine.
Re: New user, problem with running Bader
Posted: Tue Sep 20, 2011 4:06 am
by abood1160
Thank you for your fast reply
i tried it again ... it is still without extension but think it is normal because i added the extension exe and it worked ...
now once it started it closed itself without any notification or message.
is the problem with my win 7? or is it normal?
anyway,
i tried it on the DOS window (cmd) and i think it almost worked
i tried both the output and input gaussian files and look at the results:
C:\>bader P1.out
GRID BASED BADER ANALYSIS (Version 0.28 06/26/11)
OPEN ... P1.out
GAUSSIAN-STYLE INPUT FILE
At line 54 of file cube_mod.f90 (unit = 100, file = 'P1.out')
Fortran runtime error: Bad integer for item 1 in list input
C:\>bader P5.gjf
GRID BASED BADER ANALYSIS (Version 0.28 06/26/11)
OPEN ... P5.gjf
GAUSSIAN-STYLE INPUT FILE
At line 50 of file cube_mod.f90 (unit = 100, file = 'P5.gjf')
Fortran runtime error: Bad integer for item 1 in list input
What is my current problem ?are the further specification compulsory (described on the site)?
Thank you again
Re: New user, problem with running Bader
Posted: Tue Sep 20, 2011 4:43 am
by graeme
You have to analyze a charge density file. From Gaussian, this is a cube file.