WebMO Support Forum

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.

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 ...

I'll add this one to the bug list. It is a great suggestion.

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...

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.

This is by design. You can recenter the molecule automatically with "Edit : Find" (or associated hot key). It is also automatically re-cenetered upon cleanup, etc.

Excellent questions. Note that this will be a bit tricky, since the paradigms with MD are a bit different than electronic structure codes. That said, it should be possible if you set some realistic expectations. To your queries: 1) The various extensions (input.xxx) are specified as arguments to the...

Can you clarify which Gaussian version (exactly, including build number) AND WebMO version? This certainly appears to work fine for me on with the latest WebMO versions and several versions of G16. An example output file would also be useful.

Can you clarify what engine you are talking about? Is this when running a Gaussian job, or some other engine?

Thank you for this report. It would be helpful if you could post a screenshot (or better, text snippet) of a bit of SLURM output to use for testing. It obviously takes some time to get a multi-day job running for full testing purposes.