Re: [gmx-users] problem with Threading during run

2011-10-31 Thread lina
On Mon, Oct 31, 2011 at 9:28 AM, Sanku M msank...@yahoo.com wrote: Hi,  I just compiled gromacs 4.5.4 in a cluster. But, I find that if I try to make use of threading introduced in gromacs 4.5.x series, it does not work.  After issuing command like mdrun -v -s , I expected that for my 8-core

Re: [gmx-users] problem with Threading during run

2011-10-31 Thread Mark Abraham
On 31/10/2011 3:36 PM, lina wrote: On Mon, Oct 31, 2011 at 9:28 AM, Sanku Mmsank...@yahoo.com wrote: Hi, I just compiled gromacs 4.5.4 in a cluster. But, I find that if I try to make use of threading introduced in gromacs 4.5.x series, it does not work. After issuing command like mdrun -v

[gmx-users] problem with Threading during run

2011-10-30 Thread Sanku M
Hi,  I just compiled gromacs 4.5.4 in a cluster. But, I find that if I try to make use of threading introduced in gromacs 4.5.x series, it does not work.   After issuing command like mdrun -v -s , I expected that for my 8-core processor which is not running any other jobs, the threading will

Re: [gmx-users] problem with Threading during run

2011-10-30 Thread Mark Abraham
On 31/10/2011 12:28 PM, Sanku M wrote: Hi, I just compiled gromacs 4.5.4 in a cluster. But, I find that if I try to make use of threading introduced in gromacs 4.5.x series, it does not work. After issuing command like mdrun -v -s , I expected that for my 8-core processor which is not