WebMO - Computational chemistry on the WWW
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August 24, 2019

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Author Message
Mike Holmes
Unregistered guest
Posted on Tuesday, June 18, 2013 - 2:40 pm:   

I generate a structure, Ensure that valences and minimization are performed, and then attempt to run the computation for molecular geometry, Hartree-Fock, Routine: 6-31G(d), zero charge with singlet multiplicity. I have attempted numerous structures, progressively less complex, and the calculation fails immediately, never queues or even begins. it just fails before it even starts.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 361
Registered: 11-2006
Posted on Tuesday, June 18, 2013 - 3:09 pm:   

When you click the 'raw output' icon next to the job in the Job Manager, what do you see.
Mike Holmes
Unregistered guest
Posted on Thursday, June 20, 2013 - 11:57 am:   

Cannot open file /home/webmo/webmo/holmesm2/987/run_log: No such file or directory at text_dump.cgi line 87
JR Schmidt
Moderator
Username: Schmidt

Post Number: 362
Registered: 11-2006
Posted on Thursday, June 20, 2013 - 12:13 pm:   

Is WebMO installed on Linux or Windows? (Not where you are accessing it, but where it was installed.) What comp. chem. program are you submitting the job to?
Mike holmes
Unregistered guest
Posted on Thursday, June 20, 2013 - 3:07 pm:   

Running on a Linux system in our computational computer bank.
Mike holmes
Unregistered guest
Posted on Thursday, June 20, 2013 - 3:12 pm:   

Miami Univeristy computational computer bank (Oxford, Ohio.)

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