------- Comment #113 from fxcoudert at gcc dot gnu dot org 2007-06-20 20:41 ------- (In reply to comment #112) > after the fix for PR 32140 gfortran compiles CP2K correctly on x86_64 using > '-O3 -ffast-math -ftree-vectorize -funroll-loops -march=native' . Thanks !
Great. I hope we can get it working with MPI (should probably already work) and OpenMP! > http://www.pci.unizh.ch/vandevondele/tmp/CP2K_gcc_2007_06.tgz Thanks! The GCC compile farm is under rearrangement, but I hope to get it running nightly as part of an "extended testsuite" when the service is established again. > this seems quite good (despite being 10-15% slower) Indeed, this is not so bad. Do you use external libraries? > 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? > There is one more issue, for which I will file a PR shortly. Compilation fails > with an out of memory error at '-O1 -fbounds-check'. Yup, -fbounds-check for code with lots of array access has a high cost, because each array access generates an IF and a function call. Is that with a single cp2k source file, or your "all-in-one package"? -- fxcoudert at gcc dot gnu dot org changed: What |Removed |Added ---------------------------------------------------------------------------- BugsThisDependsOn|32439 | http://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
