Running and Verifying GAMESS

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Run the following command to check the host name:

   hostname

3. Run the following command to change the host name in the runall file:
   1. Open runall.

      vi runall

   2. Press i to enter the insert mode and change the value of si.msg.chem.iastate.edu in line 23 to hostname.
   3. Press Esc, type :wq!, and press Enter to save the file and exit.
4. Run the following command to run the test case:

   time ./runall 00

5. Move the 47 log files in the /path/to/GAMESS directory to the /path/to/GAMESS/tests/standard directory.
6. Run the following command to check whether the test case is executed successfully:
   1. Switch to the test case directory.

      cd tests/standard

   2. Modify the checktst file.
      1. Open checktst.

         vim checktst

      2. Press i to enter the insert mode and change 48 in line 39 to 47.
      3. Press Esc, type :wq!, and press Enter to save the file and exit.
   3. Run the check command.

      time ./checktst

      If the following information is displayed, GAMESS is installed successfully:

      All 47 testresults are correct!