Running and Verification

Procedure

Use PuTTY to log in to the server as the root user.
Create the working directory.
```
mkdir -p path/to/CASE
```
Download the test case and use SFTP to upload the test case to the /path/to/CASE directory on the server.
https://github.com/QEF/benchmarks/tree/master
Decompress the test case package and copy the required files to the /path/to/CASE directory.
```
unzip benchmarks-master.zip
cp benchmarks-master/AUSURF112/* ./
```
Create a hostfile file.
1. Create hostfile.
```
vi hostfile
```
2. Press i to enter the insert mode and add the following content:
```
n1
n2
```
3. Press Esc, type :wq!, and press Enter to save the file and exit.

On node 2, set the environment variables.

Open the file.
```
vi /root/.bashrc
```

Press i to enter the insert mode, and add the following content to the end of the .bashrc file:

export PATH=/path/to/bisheng/bin:/path/to/hmpi/bin:$PATH
export LD_LIBRARY_PATH=/path/to/bisheng/lib:/path/to/hmpi/lib:$LD_LIBRARY_PATH
export PATH=/path/to/QE/bin:$PATH
export LD_LIBRARY_PATH=/path/to/OPENBLAS/lib:$LD_LIBRARY_PATH

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

On node 1, start the QE program.

mpirun --allow-run-as-root -np 192 -N 96 -x OMP_NUM_THREADS=1 -x PATH=$PATH -x LD_LIBRARY_PATH=$LD_LIBRARY_PATH -hostfile hostfile --mca btl ^openib pw.x -input ./ausurf.in 2>&1 | tee -a qe.log

**Table 1** Parameter description
Option	Description
-np	Total number of processes used in the test.
-N	Number of processes running on each server.
-x OMP_NUM_THREADS=1	Number of threads in each process. Set the parameter to 1.
-hostfile	Name of the node to be used.

If the information shown in Figure 1 is displayed at the end of the qe.log file generated by QE, the QE program ends properly.

Check the value (in the unit of s) of WALL in the qe.log file. A higher value indicates lower performance. Figure 1 shows the output result.

Figure 1 Example result

Parent topic: QE 6.4.1 Porting Guide (openEuler 21.03)