A Blog About Linux And Science. Mostly.: 2019

This post is for home windows users (it’s written for a colleague). If you have gaussian for linux (e.g. G09D), then you can set up a little linux installation on windows, install gaussian there and run formchk in the linux environment. The guide assumes you don’t really know much about linux, or virtual machines. There are many screenshot — probably too many — but if you sort out them one by one it should be easy to get create.

Download the “VirtualBox 5.1.2 Oracle VM VirtualBox Extension Pack” as well. It doesn’t need to be version 5.1.2. Download regardless of the latest version is. Run the installation file for virtual box. Let’s assume that you have cheap and fast internet, download the netinst version of debian. Start virtualbox and create a new machine. Then install linux: Note that at no point are any changes designed to your Windows harddrive. NO changes are made to your ‘real’ harddrive, so don’t panic.

For this you will need to determine how to transfer data files between your machines. The easiest, most dependable way is via sftp. Do this. It’s easy. Next, configure your digital machine to create port forwarding. First find out what your IP address is. Log in using the security password and username you created when you installed linux.

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You want to connect to sftp:/127.0.0.1 and port 2222. Use the security password and username you create for linux. We’re only copying formchk here. That’s all we need. You’ll transfer the data files using filezilla as shown before. Hook up to sftp://127.0.0.1, port 2222, and go to the g09 directory where your formchk document is. Overall the linux install requires about 1.1 Gb — this could be lower down to 100-200 Mb probably, and the set up can be improved quite easily. However, this is the most straightforward set-up that I can think of without having to do customisation.

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