OVERVIEW
--------
This is a sample application which emulates three inputs. The First Input is Pwscf_Input, it has
all data setup manually by the user over the Web Portal. The second and third inputs are pseudo_1
and pseudo_2. Those file usually are created by a third party software containing atomic positions.
The real PWscf uses those pseudo files to simulate atomic positions of the atoms involved on the
calculations.


DESCRIPTION
----------

This Application only reads three input Pwscf_Input, pseudo_1, and pseudo_2. Then It prints 2
Outputs, one called Pwscf_Output, and the other called output_2_binary. This seconds output
output_2_binary is just one example. In the real PWscf several binary files will be placed over the
tmp directory.


MOCK APPLICATION
----------------
This application is similar to a thermo dynamics application PWscf.


APPLICATION INPUT/OUPUTS
------------------------

The first input parameter file has multiple name value pairs inputs which application can
understand.

The second input is a data file 


INSTALL
------
Building instructions

Compilations process tested on Ranger: mpicc pwscf.c -o pwscf.w

NOTE:
Remove the Apache license headers from following files before setting them up in the Super computer.
  samples/application-emulators/MockPwscf/pseudo_1
  samples/application-emulators/MockPwscf/Pwscf_Input
  samples/application-emulators/MockPwscf/Pwscf_Output
  samples/application-emulators/MockPwscf/pseudo_2

EXECUTION
---------

To run the application ..

mpirun -np 4 pwscf.w


VERIFICATION
-----------
The execution will be successfull if ....

In case the execution goes correctly. It should read those three inputs, and create one output
Pwscf_Output and another output called output_2_binary in the tmp directory.