|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
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
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
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)