Re: [gmx-users] mdrun -nc

2011-06-14 Thread Joshua L. Phillips
On most of my multi-core machines, an attempt is made to detect the number of threads to start at run-time (there may be a check for the MAXIMUM number of threads at compile-time, but a developer would need to chime in to determine if this is the case). For instance, I have a dual quadcore machine

Re: [gmx-users] mdrun -nc

2011-06-14 Thread Justin A. Lemkul
Hsin-Lin Chiang wrote: Hi, I tried gromacs 4.5.4 in these days and last version I used is 4.0.5. I found when I add --enable-threads in installation. I can use mdrun -nc 12 to run 12 CPUs together within one machine. I assume you mean -nt? It also amazing me when I type "top" to check the j

[gmx-users] mdrun -nc

2011-06-14 Thread Hsin-Lin Chiang
Hi, I tried gromacs 4.5.4 in these days and last version I used is 4.0.5. I found when I add --enable-threads in installation. I can use mdrun -nc 12 to run 12 CPUs together within one machine. It also amazing me when I type "top" to check the job, only one process in computer and the CPU utilit