Dear GROMACS peoples: I know the current gromacs-4.6 can't build with both GPU and double precision being enable. I'm wondering is it possible to modify mixed single-precision (non-bonded) GPU calculation and double-precision CPU calculation? I suppose this combination would be practically useful when we needs high precision constraint calculation (with SHAKE or LINCS etc.). If it is possible by modifying some routine, please teach me the routine to modify. I would like to try it.
Thank you for advance. Makoto Yoneya, Dr. AIST, Japan Makoto Yoneya, Dr. http://staff.aist.go.jp/makoto-yoneya/ -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
