<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Hi,</div><div> 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. </div><div> 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 show one job with 800 % cpu usage. But, it is showing 100 % cpu usage hence using only 1 of the 8 processors. I was wondering whether there is any command line I need to use to ensure the gromacs understands that there is 8 processors in a core and force make full use of the entire machine.</div><div><br></div><div>I have tried the same thing in another different cluster where I found that threading works with showing 800 % cpu usage . But, for this cluster , the threading does not
work.</div><div><br></div><div>Any help will be appreciated.</div><div><br></div><div>Sanku</div></div></body></html>