[gmx-users] Re:problem with mdrun in parallel

huifang liu huifangliu1985 at gmail.com
Tue Jan 6 02:30:30 CET 2009

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 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: huifangliu1985 at gmail.com Fax: (86-21)54237264
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