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Running and Verification

  • Determine the number of running processes based on the server configuration.
  • If multiple nodes are running, configure the network environment:
    • In the /etc/hosts file, add the IP addresses and host names of the servers.
    • Enable password-free SSH login between the servers.
    • Disable the firewall and ensure that clients and servers are not disconnected.

Procedure

  1. Use PuTTY to log in to the server as the root user.
  2. Copy the Tests directory of the source package to the test case directory.
    cd /path/to/SIESTA
    cp -r ./siesta-4.0.2/Tests /path/to/TESTCASE
  3. Go to the test case directory.
    cd /path/to/TESTCASE/Tests/h2o
  4. Configure the execution file.
    1. Open the execution file.
      vi ../test.mk
    2. Press i to enter the insert mode and modify the content in line 10.
      • Single node
        SIESTA= time -p mpirun --allow-run-as-root -np 8 /path/to/SIESTA/siesta-4.0.2/kpgcc_hmpi_compiler/siesta
      • Multiple nodes
        SIESTA= time -p mpirun --allow-run-as-root -x PATH=$ (PATH) -x LD_LIBRARY_PATH=$ (LD_LIBRARY_PATH) --hostfile /home/hostfile -np 16 -N 8 /path/to/SIESTA/siesta-4.0.2/kpgcc_hmpi_compiler/siesta
        Table 1 Parameter description

        Parameter

        Description

        -np

        Total number of processes used in the test.

        -N

        Number of processes running on each server.

        --hostfile

        Node name.

    3. Press Esc, type :wq!, and press Enter to save the file and exit.
  5. Create a host file.
    1. Create a host file.
      cd /home
      vi hostfile
    2. Press i to enter the insert mode and add the following content:
      node1
      node2

      node1 and node2 are the host names of the servers.

    3. Press Esc, type :wq!, and press Enter to save the file and exit.
  6. Run the SIESTA test case.
    cd /path/to/TESTCASE/Tests/h2o
    make
    • Result for single node

    • Result for multiple nodes