On Wed, 2013-05-08 at 09:48 +0200, Axel Kohlmeyer wrote: > if there are some people here on the list that would be interested in > having such a wrapper and would be volunteering some time testing and > providing feedback, i might be tempted to give it a try and write such > a wrapper.
inside QE there is actually a sort of "wrapper" (PW/src/buffers.f90) that can read/write to file or to RAM depending upon the value of a variable. It used to work for a single unit, but now it has been extended to an arbitrary number of units. Apparently, on modern parallel machines, the less one writes to disk, the better. P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222