[CPMD-list] CPMD & EGO-CPMD ON MAC-OS-X : (CPMD patches & modifications)

[Pradip Kumar Biswas]

Hi,

This is to inform the CPMD and MAC users that CPMD 3.9.1 is now running perfectly in 
apple MACOS-X systems at Cleveland State University. 

In addition to the QM calculations we have tested some QM/MM calculations using the 
EGO-CPMD combination. It was great as EGO-vii is also a free software and working 
fine in MACOS-X.

We share the MACOSX-XLF & MACOSX-MPI (for parallel) patches used, the list of 
changes needed, and the problem and solution with the MACOS vecLib library. 

We attach the patches and modifications as a plain text file to this mail.

Cheers,
Biswas.

--
Universidade do Vale do Paraíba - UNIVAP.
http://www.univap.br/

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