Re: [gmx-users] Re:problem with mdrun in parallel
huifang liu wrote: Hello, Mark I configured MPI using the following command: ./configure --prefix=/home/program/mpich-1.2.7 Then, i added the following line in .bashrc file: export PATH=/home/program/mpich-1.2.7/bin:$PATH I don't think it is the problem with MPI. I can run other parallel MD software normally? By the way, I am sorry that i made a mistake. My workstation has two 4-cords CPU, not two 8-cords CPU. Please include the context of the discussion by replying to the previous email and leaving relevant text. You may only have one problem at the moment, but the people reading the list have lots (and their own work). I was probably referring to your host file (or whatever MPICH calls it) Mark ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] Re:problem with mdrun in parallel
Hello, Mark I configured MPI using the following command: ./configure --prefix=/home/program/mpich-1.2.7 Then, i added the following line in .bashrc file: export PATH=/home/program/mpich-1.2.7/bin:$PATH I don't think it is the problem with MPI. I can run other parallel MD software normally? By the way, I am sorry that i made a mistake. My workstation has two 4-cords CPU, not two 8-cords CPU. Huifang. -- Huifang Liu (Ph.D. Student) School of Pharmacy Fudan University 138 Yi Xue Yuan Rd. Tel: (86-21)54237419 (O) Shanghai, China, 200032 Cell phone: +86-13764669357 E-mail: huifangliu1...@gmail.com Fax: (86-21)54237264 ___ gmx-users mailing listgmx-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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
