Re: [gmx-users] Parallel run on multiple nodes

2012-04-11 Thread Mark Abraham
On 4/04/2012 7:14 PM, Huaichen(Bobby) Zhang wrote: Dear GROMACS users, I'm a new user of GROMACS. The command "mpirun -np 8 mdrun" is working well in a node with 8 processors. Maybe. Standard installation procedure is to suffix mdrun with _mpi so that you and everyone else can be really sure

[gmx-users] Parallel run on multiple nodes

2012-04-04 Thread Huaichen(Bobby) Zhang
Dear GROMACS users, I'm a new user of GROMACS. The command "mpirun -np 8 mdrun" is working well in a node with 8 processors. Now I want to run GROMACS parallel on more processors, i.e., multiple nodes. I tried to use "mpirun -n 16 -host node018,node022 mdrun" (node018 and node022 each has 8 proce