Dear Bertrand, we are using a SUN cluster here and I am compiling GAMESS on a regular base. I tend to use the Intel compiler as it is 'the dog with the least fleas'. I have made very different observations with compilers and maths-libraries recently: from building the binaries and given the wrong numerical results with acml or mkl and only be able to obtain the right results with an ATLAS build and everything was ok after an upgrade to the latest Intel compiler to only gfortran was working. I don't know Amber9, but the bottom line would be: You have to try it out. You can use the Intel compiler on AMD platforms, but your milage may vary. Just make sure you test your binaries before you use them for production.
My 2 cents for this problem Jörg > I am planning to build a Beowulf cluster of 12 SUN FIRE 2200 boxes with > Opteron-2.6GHz processor (Dual Core). The purpose of this cluster is to run > my Amber9 code. I want to know one thing, Would the Opteron can give better > benchmarks if I compile my Amber9 with Intel MKL and ifort compiler? I > googled around it, but I could not get any positive or negative results > either. I am looking for expertise and experinced advices and suggestions. > Many thanks in advance. -- ************************************************************* Jörg Saßmannshausen Institut für chemische Technologie organischer Stoffe TU-Graz Stremayrgasse 16 8010 Graz Austria phone: +43 (0)316 873 8954 fax: +43 (0)316 873 4959 homepage: http://sassy.formativ.net/ _______________________________________________ Beowulf mailing list, [email protected] To change your subscription (digest mode or unsubscribe) visit http://www.beowulf.org/mailman/listinfo/beowulf
