Search found 50 matches
- Sat Jun 25, 2022 5:33 pm
- Forum: Other
- Topic: MOPAC v 22.0.3
- Replies: 1
- Views: 18
Re: MOPAC v 22.0.3
This change is already incorporated into the beta of WebMO 22!
- Tue May 17, 2022 1:09 pm
- Forum: User Manager
- Topic: Guest account under external authenication?
- Replies: 1
- Views: 168
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.
- Tue May 03, 2022 11:25 pm
- Forum: Template Manager (Pro)
- Topic: How to simplify a template
- Replies: 2
- Views: 211
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...
- Fri Apr 08, 2022 3:44 pm
- Forum: Choose Engine
- Topic: orca 5 and nbo error
- Replies: 2
- Views: 613
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...)
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...)
- 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: 505
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...
- Tue Mar 15, 2022 8:41 pm
- Forum: WebMO 21
- Topic: View Job - Displaying charges in ORCA
- Replies: 2
- Views: 723
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.
- Sun Feb 27, 2022 4:10 pm
- Forum: Initial WebMO Configuration
- Topic: Cannot to set a windows11 PC as remote server
- Replies: 2
- Views: 674
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.
- Thu Jan 20, 2022 8:41 pm
- Forum: WebMO Installation on Mac OSX
- Topic: WebMO enterprise v17 on osx 11
- Replies: 3
- Views: 1706
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 ...
- Tue Nov 16, 2021 2:18 pm
- Forum: Job Manager
- Topic: Failed MOPAC job is "complete"
- Replies: 1
- Views: 5624
Re: Failed MOPAC job is "complete"
I'll add this one to the bug list. It is a great suggestion.
- Mon Oct 04, 2021 2:12 pm
- Forum: View Molecular Orbitals
- Topic: Unable to run Molecular Orbitals in PSI4 on WebMO
- Replies: 1
- Views: 7545
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...