The k-point parallelized codes can certainly provide more efficient use of computation cycles as it can be demonstrated in tests cases ([*])-([*]) and application [*]. There are also other cases, where either the original code does not scale at all to larger number of cores -see test cases ([*]),([*]) , or the original code does not even work on large number of cores (see test case ([*])) or exterior limitations such as the 12 hour queue on HECToR in application ([*]) do not allow large simulations. In all these cases we demonstrated the calculations could be achieved with the k-point parallelized code.

Asimina Maniopoulou 2011-07-09