Running and Verification

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Create a test case directory.

   cd /path/to/ABINIT/abinit-8.10.3/tests/tutorial/Input
   mkdir Work_paral

3. Go to the test case directory.

   cd Work_paral

4. Copy the test case file.

   cp ../tbasepar_1.files .
   cp ../tbasepar_1.in .

5. Start the serial execution.

   abinit < tbasepar_1.files > log 2> err

6. Create a folder.

   mkdir tmp

7. Add a test case file.
   1. Create a test case file.

      vi tbase1_x.files

   2. Press i to enter the insert mode and add the following content:

      tbasepar_1.in
      tbasepar_1.out
      tbasepar_1i
      tbasepar_1o
      ./tmp/tbasepar_1
      ../../../Psps_for_tests/HGH/82pb.4.hgh

   3. Press Esc, type :wq!, and press Enter to save the file and exit.
8. Perform the computing.

   mpirun --allow-run-as-root -np 32 ../../../../build/src/98_main/abinit < tbasepar_1.files >&tbasepar_1.log &

9. If the test must be performed on more than one node, edit the hostfile file.
   1. Open the hostfile file.

      vi hostfile

   2. Press i to enter the insert mode and edit the file as follows:

      Node1
      Node2

      

      Node1 and Node2 are the node names. Change them based on your requirements and ensure that the nodes can ping each other.

   3. Press Esc, type :wq!, and press Enter to save the file and exit.
10. If the test must be performed on more than one node, perform the computing on the nodes:

    mpirun --allow-run-as-root -x PATH=$PATH -x LD_LIBRARY_PATH=$LD_LIBRARY_PATH --hostfile hostfile -np 32  -N 16../../../../build/src/98 main/abinit < tbasepar_1.files >&tbasepar_1.log &

    Parameter	Description
    -np	Total number of processes used in the test.
    -N	Number of processes running on each server.
    --hostfile	Name of the node to be used.

11. View the tbasepar_1.log file to obtain the time.

    vi tbasepar_1.log

    Information similar to the following is displayed: