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

2009-01-04 Thread Mark Abraham
huifang liu wrote: Hello, everybody, I recently installed FFTW-3.0.1, mpich-1.2.7 and Gromacs 3.3.3 on my workstation with two 8-cords CPUs. I think i installed them correctly, beause it runs normally with other parellel MD software. It also went nomorally when i run mdrun command in

[gmx-users] problem with mdrun in parallel

2009-01-04 Thread huifang liu
Hello, everybody, I recently installed FFTW-3.0.1, mpich-1.2.7 and Gromacs 3.3.3 on my workstation with two 8-cords CPUs. I think i installed them correctly, beause it runs normally with other parellel MD software. It also went nomorally when i run mdrun command in gromacs with 4 nodes. The