[CPMD-list] New User and Fundamental Questions

[kohsj at ihpc.a-star.edu.sg]

Dear Sir / Madam,

I'm a new user with completely no idea on how to begin using this program.  

I'm operating under IBM p690 Regatta system (UNIX environment).  I have performed the "gunzip" and extraction command to expand the files into my hard-disk.  It gave a main folder "CPMD", a sub-folder "CPMD-3.7.2" and three sub-folders under "CPMD-3.7.2" namely, "manual", "PPLIBNEW" and "SOURCE".  I reckon that all the programmable and usable source codes are in the "SOURCE" folder.

I have read the program manual (dated: July 26, 2003) given under folder "manual", but still do not have any idea on how to proceed.  Do I begin with installation (as described on page 5)?  If so, how should I do it?  What command must I input on my UNIX screen in order to perform the installation?  I have no idea what does the "Running CPMD" section (page 6) described, and the files, input files, commands like "&CPMD...   &END" etc. etc.,  how to use them and what purpose they serve?  What are the information that I need to have in order to run this program?

It would be of great help if you could guide me through to a step-by-step initialization of the usage of this program... really require the program's "101s".  Of course, it is definitely useful if there exist a simple example for me to follow through such that it allows me to have a general picture on the program's operating procedure, capability, inputs and outputs.

Thank you very much for your patience kind attention.  I look forward to your replies.


Best Regards,
Adrian Koh.
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