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December 12, 2019

WebMO daemon and Gaussian compound me... Log Out | Topics | Search
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WebMO Support Forum » Bug Reports » WebMO Version 1.X » WebMO daemon and Gaussian compound methods « Previous Next »

Author Message
William Polik (Polik)
Posted on Monday, July 03, 2000 - 1:05 pm:   

The WebMO daemon does not correctly handle Gaussian compound methods.

I built a water molecule, chose Gaussian, and used Preview Input File in the Configure Gaussian Job Options screen to submit a Gaussian job with the following route
      #N CBS-4
the Job Manager reports that the job starts running properly and the Time increases appropriately.

After a while, the job completed successfully. However, the Job Manager reports
      Status: Running
      Time: 0 sec
TheWebMO System Manager reports that the daemon is still running, and a 'ps' reveals that WebMO is using a lot of CPU time:
29102 ? S 0:43 perl /home/schmidt/public_html/cgi-bin/gaussian
29103 ? R 120:32 \_ perl /home/schmidt/public_html/cgi-bin/gaus

When I tried killing the job from Job Manager, I received the following error message:
Content-type: text/html Status: 500 Server Error
Server Error
Cannot open user profile for user : No such file or directory in line 205 of usercontrol.cgi
Please contact webmaster for more information.

Also, while I was able to stop the WebMO daemon from the WebMO System Manager, 'ps aefx' revealed
29103 ? R 124:27 perl /home/schmidt/public_html/cgi-bin/gaussian
so I had to kill the job by hand using
# kill 29103

Note that the job actually completed properly, i.e., the output.log file is correct. The problem seems to lie with the WebMO daemon.

FYI, I am using WebMO 1.1.000 running on Linux (http://buchner.chem.hope.edu/~schmidt/cgi-bin/login.cgi)

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