Re: [gmx-users] multi threading on rocks cluster

2014-03-14 Thread Mark Abraham
On Fri, Mar 14, 2014 at 10:46 AM, michael.b wrote: > > dear all, > I have a problem with multithreading on a cluster. > Our (vanilla) rocks cluster has several nodes each with 8 cores. I used to > be > able to start a job with "mdrun_d -nt 8" (NOT mdrun_mpi) and the directive > "-pe mpi_smp 8" i

[gmx-users] multi threading on rocks cluster

2014-03-14 Thread michael.b
dear all, I have a problem with multithreading on a cluster. Our (vanilla) rocks cluster has several nodes each with 8 cores. I used to be able to start a job with "mdrun_d -nt 8" (NOT mdrun_mpi) and the directive "-pe mpi_smp 8" in the qsub job file, and the calculations would automatically be