g09nbo.i8.exe for Windows 7 (64bit)

g09nbo.i8.exe for Windows 7 (64bit)

Postby hiro » Thu Jun 12, 2014 1:21 pm

Dear All,

We are now using NBO6 coupled with Gaussian09W Rev.D01 on Windows 7 (32bit).
Because our download NBO package is only included in g09nbo.i4.exe & nbo6.i4.exe.

Maybe, for Windows 7 (64bit) system, g09nbo.i8.exe & nbo6.i8.exe are required.

How do we get the "i8" (INT=i8) execution programs?

Regards,
hiro
 
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Re: g09nbo.i8.exe for Windows 7 (64bit)

Postby ericg » Thu Jun 12, 2014 6:40 pm

Your NBO6W distribution should include the i8 executables, along with the i4. Look in nbo6w\bin. If the i8 executables are missing, download an updated distribution from https://software.wisc.edu/cgi-bin/chemi ... mistry.cgi

Eric
ericg
 
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Re: g09nbo.i8.exe for Windows 7 (64bit)

Postby hiro » Fri Jun 13, 2014 3:56 am

Thanks for prompt reply.

Even though I retried to download the package of NBOPro6, our using package NBOPro6 for Windows is NOT including in "i8" execute files as follows:

---------------------
Distribution contents
---------------------

The nbopro6 folder of the download distribution includes:

nbopro6/
|-- README this file
|-- ch3nh2.47 sample input file (.47 archive) for GenNBO
|-- g09nbo.i4.exe binary executable for interactive G09W/NBO6W
|-- gaunbo6.bat utility batch script for G09W/NBO6W
|-- gaussian.bat sample batch file for G09W calculations
|-- gennbo.bat sample batch file for GenNBO calculations
|-- gennbo.i4.exe binary executable for stand-alone GenNBO analysis
|-- nbo6.i4.exe NBOW6 binary executable
|-- NBO6_man.pdf PDF copy of the NBO6 manual
|-- NBOPro6.exe NBOPro 6.0 binary executable program
|-- NBOPro6_man.pdf PDF copy of the NBOPro6 manual
|-- install/ installation instructions for G09W/NBO6W
`-- tests/ sample input/output for GenNBO and G09W
-------------------------------------

Is this package ONLY available for 32bit Windows?
hiro
 
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Joined: Wed May 28, 2014 9:59 pm

Re: g09nbo.i8.exe for Windows 7 (64bit)

Postby ericg » Fri Jun 13, 2014 8:35 pm

Have you tried the i4 executables with G09W? i4 and i8 refer to the integer lengths used by the NBO program, not to the 32- or 64-bit architecture of your computer or operating system.

Eric
ericg
 
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Re: g09nbo.i8.exe for Windows 7 (64bit)

Postby hiro » Fri Jun 13, 2014 9:01 pm

I have already checked & used "i4" type executable file for our WIndows 7 PC machine with 32bit Gaussian09W.
But our Windows 7 PC machine is "64bit" Windows 7, so that I believe that "i8" executable file with 64bit Gaussian09W
is prefer than "i4" by usint 32bit mode on "64bit" Windows.

Please let me know how to get "i8" executable files.

Regards,
hiro
 
Posts: 5
Joined: Wed May 28, 2014 9:59 pm

Re: g09nbo.i8.exe for Windows 7 (64bit)

Postby ericg » Sat Jun 14, 2014 5:07 pm

Yes, but can you try the i4 executable work with 64-bit G09W? Does it work for you?

i4 NBO6 is always preferred over i8, as long as i4 doesn't fail. i8 uses twice as much memory for integer storage as i4, and integers in the NBO program should never exceed (or even get close to) the maximum integer (2,147,483,647) that can be represented by a 32-bit signed integer. We provide i8 because some host programs require it. I doubt whether 64-bit G09W requires i8 due to the way that Gaussian's external interface works. (I could be wrong, but I don't have a copy of 64-bit G09W to try this myself.)

Eric
ericg
 
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Joined: Sat Dec 29, 2012 9:31 am


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