[CPMD-list] Running CPMD on multi-core Opeton cluster

[Reuti]

Hi,

Am 31.10.2006 um 19:44 schrieb Yiming Zhang:

> Dear CPMD community,
>
> I am currently running CPMD on a Opteron AMD64 cluster, every node  
> has 4 CPU (2 dual core Opterons).
> I am able to parallel CPMD using MPI MPD, an example script is  
> pasted below. When I ask for 32 for $NSLOTS. it actually runs on 32  
> nodes with only 1 of 4 cpus per node running. I am wondering if  
> there is a way to fully utilize the cluster, running on all cpus on  
> 32 nodes, then totally I can have 128 cpus.
>
> If I simply ask for larger $NSLOTS, the MPD quit with error message  
> like "more processors asked than available", I can't remember exactly.
>

are you using SGE, or how is $NSLOTS set? Which MPI(CH){1|2} are you  
using in detail?

-- Reuti


> Any suggestions are welcome,
> Yiming Zhang
>
>
> mpdboot -n $NSLOTS -f $MACHINEFILE
> mpdtrace -l
> mpiexec -n $NSLOTS /borg/yiming/borg_cpmd.x $base/inp > $base/out
> mpdallexit
>
>
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