Search found 49 matches

by schmidt
Tue May 17, 2022 1:09 pm
Forum: User Manager
Topic: Guest account under external authenication?
Replies: 1
Views: 121

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: 193

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: 570

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: 471

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: 671

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: 657

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.
by schmidt
Thu Jan 20, 2022 8:41 pm
Forum: WebMO Installation on Mac OSX
Topic: WebMO enterprise v17 on osx 11
Replies: 3
Views: 1683

Re: WebMO enterprise v17 on osx 11

Can you please clarify? Are you saying that v17 Enterprise exhibits the problem, but v20 (of WebMO basic) works ON THE SAME SERVER? If so, this may be due to changes in Perl a few year ago (due to security changes) that broke compatibility with older versions of WebMO. These were addressed in WebMO ...
by schmidt
Tue Nov 16, 2021 2:18 pm
Forum: Job Manager
Topic: Failed MOPAC job is "complete"
Replies: 1
Views: 5612

Re: Failed MOPAC job is "complete"

I'll add this one to the bug list. It is a great suggestion.
by schmidt
Mon Oct 04, 2021 2:12 pm
Forum: View Molecular Orbitals
Topic: Unable to run Molecular Orbitals in PSI4 on WebMO
Replies: 1
Views: 7532

Re: Unable to run Molecular Orbitals in PSI4 on WebMO

Yes, unfortunately this is due interactions of an old copy of WebMO and newer versions of PSI. The PSI4 code base is rapidly evolving and there have been many "breaking" changes over the last several years. WebMO 21 does now work with the newest versions of PSI4, but it will likely be challenging to...
by schmidt
Wed Sep 08, 2021 8:15 pm
Forum: WebMO 21
Topic: MOPAC Dihedral Search
Replies: 1
Views: 11283

Re: MOPAC Dihedral Search

This is a MOPAC bug which I have encountered before. For some reason, MOPAC does not like the number "0" (exactly) in a dihedral scan, although there is no reason why it should (in principle) be problematic. Simply avoiding zero (e.g. 1 degree) yields the expected result.