[gmx-developers] nbnxn generation

Roland Schulz roland at utk.edu
Fri Aug 22 06:39:53 CEST 2014


I vaguely remember that someone said there are some plans of generating the
verlet kernels in some new way. Do I remember that correctly or do no such
plan exist? If they do, what are they?

Erik, you mentioned previously that there are potential problems with
intrinsics and C++. Do we already have any examples of that?

If C++ and intrinsics doesn't cause any problems one option to replace the
preprocessor would be using templated functions (for an example see here:
- this is for CUDA but doesn't effect the idea).


ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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