How to setup connections between the local machine and a remote server?

• Click Connection from the main menubar of the CINEMAS screen. See Fig. 126

• Manage SSH connections leads to Connections workspace, where remote connections can be set up.

Fig. 126 Connections:.

• For the first time set-up, or starting over Connections workspace screen appears as shown in Fig. 127.

Fig. 127 Connections:.

• The button Add connections adds a new connection with a choice of job-scheduler.

  • Connection$i$ is the default connec-name. i is the number of connection.

  • Set as default can be marked for a connection, to which automatic-modules will submit calculations if there are more than one connections established.

  • The current version of CINEMAS supports TORQUE, MOAB, OTP-type and localhost(VASP installed without any scheduler).

  • Along with the choice of scheduler, a connection to remote-server can be established by entering IP address, and user credentials by clicking button.

  • See Fig. 128, Fig. 129, and Fig. 130.

Fig. 128 Connections:.

Fig. 129 Connections:.

Fig. 130 Connections:.

• Once the connection is established(Fig. 131), remote-server-location, submit-command, and submit-script(if any) has to be defined.

  • Remote-server location: User has to define remote-server-location. e.g. /home/username/CINEMAS/ or similar.

  • Submit command: User has to define command along with arguments if any. E.g. qsub/msub/’mpirun -np 4 vasp > vasp.out &’.

  • Submit script: If it is needed, browse the script to submit a calculation on the remote-server.

  • Save: The Save button can be used to save a connection with user-credentials, command, submit-script path.

  • Load connections: This button loads a previously saved connections.

  • Auto connect: This check-box can be ticked, if CINEMAS should load all the connections saved, right after it launches.

  • Fig. 132 shows a case of established connection, will all required details filled in.

Fig. 131 Connections:.

Fig. 132 Connections:.

• Multi-hop connections: At times, for various reasons(security primarily) connection to a remote compute-server is established through gateway-server(s).

  • By clicking button next to IP address of an established connection, one more server field appears(Fig. 133).

  • As explained in previous steps, by providing IP, and user-credentials another connection can be established hopping through the previous connection(Fig. 134).

  • Fig. 135 is a scenario of a connection to remote compute-server established by hopping through two gateways.

Fig. 133 Connections:.

Fig. 134 Connections:.

Fig. 135 Connections:.

• Load connections:

  • If saved earlier, connection can be established by loading the details.

  • This can be done manually(Fig. 136) by clicking Load connection button, or automatically if auto connect was checked.

Fig. 136 Connections:.

Fig. 137 Connections:.

• Fig. 137 shows two connections established.

• Any number of connections can be established between local machine and multiple remote servers.

• A calculation can be readily submitted to a choice of compute-server. See Fig. 138.

Fig. 138 Connections:.