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March 31, 2020

Viewing Gaussian09 log files Log Out | Topics | Search
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Matthew Barclay
Unregistered guest
Posted on Wednesday, July 08, 2015 - 3:17 pm:   

I only have access to G09 remotely, so I can't run jobs through WebMO. When I try to view my own completed .log files, I keep getting "Invalid File Format" error.

text/plainmy file
nh3freq.log (79.6 k)

I've looked through other such threads, including https://www.webmo.net/discus/support/messages/3/495.html?1330456808 and I have no problem uploading that person's file to WebMO for viewing....so what's wrong with my output files?

text/plainthe other guys file
output-498.log (78.2 k)
JR Schmidt
Username: Schmidt

Post Number: 464
Registered: 11-2006
Posted on Wednesday, July 08, 2015 - 3:29 pm:   

The failure is because this is from a DEVELOPMENT version of Gaussian, and evidently they changed a few things. Any easy fix is to modify the parse_gaussian_version subroutine in parse_gaussian.cgi to search for:

"This is the private, development version"
Matthew Barclay
Unregistered guest
Posted on Wednesday, July 08, 2015 - 3:46 pm:   

Mr. Schmidt:

Thanks so much - I feel like you've answered it perfectly, but unfortunately I am unfamiliar with the parser language and........based on what I'm seeing :

screenshot of parse_gaussian.cgi

I might even say that change has already been incorporated, if I had any idea what I was looking at.

Would you mind going into a little more depth into all the changes I need to make?

Thanks so much
JR Schmidt
Username: Schmidt

Post Number: 465
Registered: 11-2006
Posted on Wednesday, July 08, 2015 - 5:16 pm:   

Try the following subroutine:

sub parse_gaussian_version
local (*logfileText) = @_;

# catch-all for Gaussian development version.. assume based on g09 (for now)
my $i = search_from_beginning("This is the private, development version", \@logfileText);
return "g09" if ($i != -1);

$i = search_from_beginning("This is( part of)* the Gaussian", \@logfileText);
return "" if ($i == -1);
$_ = $logfileText[$i];

/This is(?: part of)* the Gaussian\D*(\d+)/;
return "g$1";
Matthew Barclay
Unregistered guest
Posted on Wednesday, July 08, 2015 - 6:09 pm:   

Okay so maybe I understood more than I thought (those were the changes I had in mind)......

Unfortunately so far none of what I've tried (attempted the import both with and without the forwardslash) seems to have made a difference.

Here is my current cgi code:

current parse_version

and here, again, is the text block from my G09 version that I presume we're trying to access:

g09 statement

Is it possible that, since I am unable to build a root directory in my interface manager [because I don't have G09 on my computer], that there is a disconnect between the returned value? (g03, or g09, as it were)

Thanks again for all the help,

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