Running and Verification

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Run the following command to configure the environment variables of the Psi4 executable file:

   export PATH=/path/to/PSI4/install/bin:$PATH

3. Run the following command to go to the test case directory:

   cd /path/to/PSI4/install/share/psi4/samples/opt-multi-frozen-dimer-c2h

4. Run the following command to run Psi4:

   psi4 input.dat

   After the running is complete, check the value of Wall Time in the timer.dat file. A smaller value indicates a higher performance.