[Pw_forum] about the program style of pwscf
Goranka Bilalbegovic
gbilalbegovic at gmail.com
Wed Aug 11 11:47:56 CEST 2010
If someone is an absolute beginner, and there is nobody around in real life
to help, then after finishing with the Fortran tutorial, for example:
http://www.cs.mtu.edu/~shene/COURSES/cs201/NOTES/fortran.html
it is perhaps rather hard to understand how Quantum Espresso and pwscf are
organized.
Perhaps, for computing/programming, it is useful to read about:
Make: http://en.wikipedia.org/wiki/Make_(software)
Configure script: http://en.wikipedia.org/wiki/Configure_script
and also to check some of the Tutorials by Paolo Giannozzi:
The Quantum ESPRESSO Software Distribution:
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_overview.pdf
Notes on parallel computing:
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_para.pdf
and, of course, a review article about QE:
http://iopscience.iop.org/0953-8984/21/39/395502/
Best regards,
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