[EMAIL PROTECTED] wrote:
Ok (you didn't say that in the first mail...).
Does it also happen on one processor?
I Haven't tested in d.p.
After how many steps does it happen? (see Marks mail).
after 300000 steps, that is 600 ps.
I energy minimized the system in d.p. and it is still running after
710 ps.
No had stopped at 710 ps...
Why is it then working with single precision?
-Edvin
it's difficult to say, it could be coincidence but could also be due to
a problem in the software. is this 3.3.1? you are welcome to submit a
bugzilla, but we would like to have a system that crashes in ten steps
in DP but not in SP...
--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
