![]() It is recommended to always specify the full module name includingĢ.3 Starting Gaussian jobs interactively via GaussView #Setting up gaussview 6 how toSee GaussView example session for more infos how to work with the GUI. The GaussView module automatically loads the corresponding Gaussian module. Within the X11 session open a terminal window (e.g. Remote VNC session or a (Linux-)System with X-forwarding (e.g.: ssh -X on how to start an interactive VNC session running on a compute node can be found here: TigerVNC The best method to use GaussView is to start it within an interactive Therefore requesting more than one node does not make any sense.Ģ.2 Loading the module and starting GaussView (within VNC session) Please keep in mind that our Gaussian version is only shared-memory parallel. ![]() When doubling the number of cores, the speed up should be at least a Please make sure that the speed up of the calculation is reasonable when requesting Within Gaussian Calculation Setup window. #Setting up gaussview 6 serialTo switch from serial to parallel one has to modify entry Shared Processors One can construct/save or start serial as well as parallel jobs with GaussView. Then submit a Gaussian job with the input created by GaussView. Use GaussView to prepare and save the input. NEVER start long running large calculations interactively on login or visualization nodes. Usually home or Wi-Fi networks are too slow. Major disadvantage: X-forwarding requires a very fast network connection with low latency. Then load the GaussView module and start GaussView via command gaussview. ![]() X-forwarding method (usually slow): First log in to the JUSTUS 2 login or visualization nodes with X-forwarding enabled (i.e.Thereafter you can open a terminal window in that VNC session, load the GaussView module and start GaussView via command gaussview. See the TigerVNC documentation for details. To help you with that we have pre-installed TigerVNC on JUSTUS 2. Remote-VNC method (recommended): First set up a VNC (Virtual Network Computing) remote desktop connection to one of the JUSTUS 2 login or visualization nodes.There are two methods to start GaussView remotely on JUSTUS 2: setup, visualize and analyze parameter scansįor more information on features please visit GaussView's GaussView Documentation web page.visualize 3D ISO surfaces of densities and orbitals, plot IR and Raman spectra) monitor progress of running Gaussian calculations (login to the compute node and change to the temporary job directory).prepare Gaussian calculations (create and save Gaussian input files with all parameters).build, save or load molecular structures (advanced molecule editor).GaussView is an advanced and powerful graphical user interface for Gaussian. 2.4 Submitting Gaussian jobs to the queueing system.2.3 Starting Gaussian jobs interactively via GaussView.2.2 Loading the module and starting GaussView (within VNC session).
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