Search found 83 matches

by schmidt
Tue Oct 18, 2022 2:08 pm
Forum: WebMO 22
Topic: Natural Localized MOs (NLMOs)
Replies: 1
Views: 5194

Re: Natural Localized MOs (NLMOs)

This actually does work but is not enabled by default. To "enable" the output of NLMOs in a form that is parsable by WebMO you need to add the following to the NBO keyword list:

AONLMO=W38
DMNLMO=W88
FNLMO=W98
by schmidt
Wed Oct 05, 2022 1:48 pm
Forum: WebMO Installation on Linux
Topic: Install WebMO 22 on ubuntu 22.04
Replies: 2
Views: 12606

Re: Install WebMO 22 on ubuntu 22.04

Virtual hosts can be tricky. The error you see suggests that WebMO see suggests that WebMO cannot write to its own error log. You may need to adjust the file permissions or virtual hosts UID (note that virtual hosts may be running under a different UID, depending on configuration).
by schmidt
Tue Aug 09, 2022 2:01 pm
Forum: Other
Topic: Interface not working
Replies: 2
Views: 10045

Re: Interface not working

What are the permissions of g16? Please post the output of the command:

% ls -alF /usr/bin/g16/g16
by schmidt
Sat Jun 25, 2022 5:33 pm
Forum: Other
Topic: MOPAC v 22.0.3
Replies: 1
Views: 11095

Re: MOPAC v 22.0.3

This change is already incorporated into the beta of WebMO 22!
by schmidt
Tue May 17, 2022 1:09 pm
Forum: User Manager
Topic: Guest account under external authenication?
Replies: 1
Views: 12297

Re: Guest account under external authenication?

Yes, guest accounts work fine along with external authentication. Make sure that the guest user is a member of a group, and that the group has all interfaces/servers/queues enabled.
by schmidt
Tue May 03, 2022 11:25 pm
Forum: Template Manager (Pro)
Topic: How to simplify a template
Replies: 2
Views: 7878

Re: How to simplify a template

John, There is no need to delete built-in variables (nor CAN they be deleted, hence the greyed out!). You can only delete custom variables that you have defined. However, there is no need to delete these variables. WebMO automatically "hides" any variables that are not used in a template. So if your...
by schmidt
Fri Apr 08, 2022 3:44 pm
Forum: Choose Engine
Topic: orca 5 and nbo error
Replies: 2
Views: 11256

Re: orca 5 and nbo error

John,

This works but is still a bit of a hack in terms of implementation. One needs to update the hard-coded paths in 'run_orca.cgi' to reflect the correct paths to NBO7 (vs. NBO6). (The 'NBOEXE' and 'GENEXE' paths...)
by schmidt
Wed Mar 23, 2022 3:37 pm
Forum: WebMO Installation on Mac OSX
Topic: Webmo enterprise 17 modification to run on MacOS 12
Replies: 1
Views: 8375

Re: Webmo enterprise 17 modification to run on MacOS 12

Note that if the issue(s) are what I believe they are, this is not at all related (directly) to macOS 12 but rather to newer versions of Perl. Most OSes have recently upgraded their Perl versions. Due to some important fundamental changes in Perl itself, this causes issues with older versions of Web...
by schmidt
Tue Mar 15, 2022 8:41 pm
Forum: WebMO 21
Topic: View Job - Displaying charges in ORCA
Replies: 2
Views: 8535

Re: View Job - Displaying charges in ORCA

Thanks for reporting this. It is a parsing bug related to atomic symbols with multiple characters (e.g. Cl)! This will be fixed in the next minor release.
by schmidt
Sun Feb 27, 2022 4:10 pm
Forum: Initial WebMO Configuration
Topic: Cannot to set a windows11 PC as remote server
Replies: 2
Views: 7966

Re: Cannot to set a windows11 PC as remote server

Note that the remote servers themselves MUST be Linux/OS X machines. Windows machines are not supported directly as remote servers, because much of the infrastructure required for remote servers (e.g. SSH, most notably) is not as well supported on Windows.