Running and Verification

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Go to the test directory.

   cd /path/to/CASE

3. Download the test cases and use an SFTP tool to upload the test cases to the /path/to/CASE directory on the server.

   wget https://github.com/QEF/benchmarks/archive/refs/tags/bench0.0.tar.gz

4. Decompress the test case package and copy the required files to the /path/to/CASE directory.

   tar xvf benchmarks-bench0.0.tar.gz
   cp benchmarks-master/AUSURF112/* ./

5. Start the QE program.

   mpirun --allow-run-as-root -np 2 -x OMP_NUM_THREADS=1 --mca btl ^openib pw.x -input ./ausurf.in 2>&1 | tee -a qe.log

   

   -np indicates the total number of processes used in the test. The number 2 indicates that the test machine has two graphics cards.

   -x OMP_NUM_THREADS=1 indicates that each process has one thread.

   Check the value (in the unit of s) of WALL in the qe.log file. A higher value indicates lower performance. The following figure shows the output result.