The search path for Quantum ESPRESSO by the GUI and by the run scripts made by the GUI is: To force installation of Quantum ESPRESSO (for example to re-install it to make sure you have a clean version), use the SCM → Packages command, and use the AMSpackages module to remove and reinstall Quantum ESPRESSO.Īlternatively, the precompiled Quantum ESPRESSO binaries are available from the SCM web site. This will use AMSpackages to check if QE has already been installed, and if not it will install it using AMSpackages.Īn environment variable SCM_PKG_QE will be set pointing to the install location. The easiest way to install it is just to open AMSinput and go to the Quantum ESPRESSO section. Installing Quantum ESPRESSO using AMSpackages ¶ If you are using OpenSSH (typically on Linux machine or MacOSX) you can make the communication with the remote machine much more efficient by setting the SCM_SSH_MULTIPLEXING environment variable to yes (in the GUI Preferences module).ĪMSjobs does not store passwords, it always uses the ssh command to communicate with remote systems.įor more information, consult your ssh documentation or one of the many guides on the internet. Thus, users (and AMSjobs) should be able to use ssh to log in to the remote machine without ever needing to enter a password. This allows you to automatically set options, like the user name to use on the remote machine. add your public key to the authorized_keys file on the remote machine.You should take care to configure things such that you do not need to type a password when you access your remote machine. To use AMSjobs with remote machines, you need to set up ssh first.
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