Compilation and Installation

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Go to the DL_POLY installation package directory.

   cd  /path/to/DL_POLY

3. Decompress the DL_POLY installation package.

   tar -xzf dl_poly-RELEASE-1-10.tar.gz

4. Go to the directory generated after the decompression.

   cd dl_poly-RELEASE-1-10/source

5. Copy the Makefile file.

   cp ../build/MakePAR ./Makefile

6. Modify the Makefile file.
   1. Open the Makefile file.

      vi Makefile

   2. Press i to enter the edit mode and modify line 65 of Makefile.

      FC=mpif90 FFLAGS="-c -O3 -march=armv8.2-a -mtune=tsv110" \ 

      

      After performing 6.a, press Esc, type :set nu, and press Enter to display the line number.

   3. Press Esc, type :wq!, and press Enter to save the file and exit.
7. Perform the compilation and installation.

   make dlpoly

8. Set the DL_POLY environment variables.

   export PATH=/path/to/DL_POLY/dl_poly-RELEASE-1-10/execute:$PATH

9. Check whether DL_POLY is installed successfully.

   which DLPOLY.X

   If the following information is displayed, the installation is successful:

   /path/to/DL_POLY/dl_poly-RELEASE-1-10/execute/DLPOLY.X