------- Comment #114 from jv244 at cam dot ac dot uk 2007-06-21 03:41 ------- (In reply to comment #113) > Great. I hope we can get it working with MPI (should probably already work)
I suspect that will be no real problem, but I do not have an MPI/gfortran setup to check. > > this seems quite good (despite being 10-15% slower) > > Indeed, this is not so bad. Do you use external libraries? yes, linked against lapack/blas (gotoblas and mkl respectively), but the input is tuned so that this is a negligable fraction of the total time. > > > For the first benchmark > > most of the slowdown seems to be in one part of the code (core_hamiltonian), > > for which gfortran is about 35% slower (I suspect the difference comes from > > one > > subroutine ai_overlap_new). > > Is that related to PR31021 or PR31079? > No, I haven't made a testcase for this, this takes a lot of time. > > with an out of memory error at '-O1 -fbounds-check'. > > Yup, -fbounds-check for code with lots of array access has a high cost, single file package, but see PR 32439 for details. -- http://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
