Running and Verifying DL_POLY on a Single Node
- Use PuTTY to log in to the server as the root user.
- Run the following command to decompress the TEST41 test case package:
tar zxf TEST41.tar.gz
- Run the following command to go to the TEST41 test case directory:
cd TEST41/NHC
- 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.
Parent topic: Running and Verifying DL_POLY
