Hi, On Friday, 29. February 2008 07:13, [EMAIL PROTECTED] wrote: > I often had problems when running GMX 3.3 on mpich-1.2.x , to be exactly, > the simulations always crash when running on more than 5 cores. I wonder > whether this can be fixed in GMX 4.0.
i have run several simulations with mpich 1 with more than 5cores without any problems. If it doesn`t work you can choose different mpich implementations, at the moment i think openmpi is the best one, if you don`t want to buy something like intel mpi your have any special interconnections like infiniband. Greetings, Florian > > > > Sincerely yours, > > Ying Ren > 2008-02-29 > ---------------------------------------- > State Key Laboratory of Multi-Phase Complex System > Institute of Process Engineering (IPE) > Chinese Academy of Sciences (CAS) > P.O.Box 353, Beijing 100080, P.R. China > > Tel: +86-10-8262 3713 ext.804 > Fax: +86-10-6255 8065 > Email: [EMAIL PROTECTED] > WWW: http://ipe.ac.cn/csms > ---------------------------------------- > > > > _______________________________________________ > 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 -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Telephone: +49(0) − 9131 − 85 26573 Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ 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
