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Running and Verifying DL_POLY on a Single Node

  1. Use PuTTY to log in to the server as the root user.
  2. Run the following command to decompress the TEST41 test case package:
    tar zxf TEST41.tar.gz
  3. Run the following command to go to the TEST41 test case directory:
    cd TEST41/NHC
  4. Run the following command to run the test case in single-node mode:
    mpirun --allow-run-as-root -np 128 -mca btl ^openib DLPOLY.X

    time elapsed since job start = XX seconds in the OUTPUT file indicates the performance. A smaller value of XX indicates better performance.

    Figure 1 is an example of the output result.

    Figure 1 An example result