Hi as far as I now, you should NOT use "-D__ESSL" on BGQ machines, but "-D__LINUX_ESSL". Also please not that irreps are build using a stochastic algorithms so their phases are quite unpredictable. Anyway: if it works for you, it's fine: the performance penalty should be negligible, or even nonexistent.
PS: I send an email a few weeks ago and got no reply. I hope someone can > also answer these questions [...] > > 2) Any ways to reduce the phonon disk I/O to 'none' similar to pw.x? > Reduce_io seems help very little during the calculation. > it actually does very little because it works for the self-consistent part only. Unfortunately, reducing I/O in the phonon code (a problem that must be addressed sooner or later, sooner better than later) requires a serious investment in terms of time and effort. Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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