Re: [gmx-users] about the run program in gromacs 4.0.3

2009-01-26 Thread Jussi Lehtola
On Mon, 2009-01-26 at 10:54 +0100, XAvier Periole wrote: > in the gmx-4.X versions you do not need to specify the number of CPU t > grompp but only to mdrun ... Not mdrun, but to the MPI run program (mpirun / aprun &c). -- -- Jussi Lehtola, FM,

RE: [gmx-users] about the run program in gromacs 4.0.3

2009-01-26 Thread Berk Hess
Re: [gmx-users] about the run program in gromacs 4.0.3 > Date: Mon, 26 Jan 2009 10:54:01 +0100 > > in the gmx-4.X versions you do not need to specify the number of CPU t > grompp but only to mdrun ... > On Jan 26, 2009, at 10:29 AM, anirban polley wrote: > > > Hi, > &g

Re: [gmx-users] about the run program in gromacs 4.0.3

2009-01-26 Thread XAvier Periole
in the gmx-4.X versions you do not need to specify the number of CPU t grompp but only to mdrun ... On Jan 26, 2009, at 10:29 AM, anirban polley wrote: Hi, I have run earlier in gromacs3.3.x version in parallel processor but now I have installed gromacs4.0.3. But when I want to run program in

[gmx-users] about the run program in gromacs 4.0.3

2009-01-26 Thread anirban polley
Hi, I have run earlier in gromacs3.3.x version in parallel processor but now I have installed gromacs4.0.3. But when I want to run program in the gromacs4.0.3, it says that ... Invalid command line argument: -np