Thanks Axel for the very exhaustive explanation. I appreciated it. If I would have the time I would like to try to compare and test OpenMP and Mpich2 on my Linux PC, as well as the million of options of the compilers.... Unfortunately, I have to use my (little) time to compile Q-E and, expecially, to learn it! (I consider myself mainly an experimental inorganic chemist, electrochemist, with the passion of computer and quatum mechanical calculations...)
CN> However, I trust the experience of the developers :-). > > you should never do that. as a scientist you are obliged > to never take anything for granted and convince yourself. > i may just be a "compiler terrorist", trying to sabotage > sales for the compiler vendors. ;-) > > cheers, > axel. Good answer. I'm trying to start from the most advanced point that I can afford! ...I hope there is no back-trojan virus in the code :-) Best Regards, Carlo -- ------------------------------------------------------ Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8 Fax: +39 011 6707855 - Dipartimento di Chimica IFM via P. Giuria 7, 10125 Torino, Italy http://lem.ch.unito.it/
