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Mod:Hunt Research Group/dlpoly install

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Installing DL_poly4.08

The first things that you need to install are programs to make DL_poly work

  1. Xcode
  2. Command Line Tools
  3. Macports
  4. gfortran

Xcode take the longest to install, so start with that one first! Xcode can be found on the apple app store.

Command Line tools requires a little searching for, but can be found on the apple developer site [1]. Scroll to the bottom of the page to locate "see more downloads' and click on that link. Select the most appropriate Command Line Tools option for your Mac

Mac ports can be dowloaded from [2] , again install the most appropriate for your Mac.

gfortran can be found...


Once all of these are installed its possible to start to installation of DL_poly.

The procedure below works for DL_poly4.08 It might not work for the version you are trying to install!

Once you have downloaded and unzipped the DL_poly file make a new directory called build-serial. Using the terminal navigate to this directory and type.

'sude port install cmake" if make is not installed already. To check simply type make and return in the terminal.

Once cmake is installed type 'cmake ../ -DWITH_MPI=OFF

then type

'make install'

old instructions

We want to use dlpoly 2 (classic) or dlpoly 4 problems installing dlpoly 4 on macs

Install DL_POLY V2.20 serial on iMac

--Ling Ge, 25-Feb-09

0. Follow the instructions in W. Smith's email to decrypt.

1. Download Xcode from the mac developer website

2. Install gcc package in Xcode

3. Install gfortran. I got the installer from http://www.macresearch.org/xcode_gfortran_plugin_update; we used the one called " August 2007 Build (59 MB Download)", this does all the dirty work.

4. test gfortran

5. cp /build/MakeSEQ ../srcmod/Makefile

6. make gfortran

7. /execute/./gui (if the following error occurs: "Exception in thread "main" java.lang.UnsupportedClassVersionError: Bad Version number in .class File, then it the runtime environment on the mac is not the one assumed by the classfiles. ) recompiled against the leopard runtime and asked it to play nicely with java 2.0

Useful websites:

DL-POLY tutorial and exercises:

http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/TUTORIAL/Tutorial_1_files/frame.htm

http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/TUTORIAL/EXERCISES/

Fernando Bresme's tutorial at IC:

https://www.ch.ic.ac.uk/wiki/index.php/Mod:phys3.1

How to install DL_POLY on a Mac:

http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/FAQ/FAQ13.shtml

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