dear Mr Roberto thank for your guidance. kind regards H.R. balangi -------------------------------------------- On Wed, 8/5/15, RCP <[email protected]> wrote:
Subject: Re: [SIESTA-L] run parallel siesta To: [email protected] Date: Wednesday, August 5, 2015, 12:48 PM Hi, That's because you're giving "mpirun" the wrong version. Let's call siesta.exe the parallell version you've compiled, then type mpirun -np nproc siesta.exe < input.fdf > output By the way, if you're using a real cluster (instead of a single multicore machine), do not forget the "--hostfile <some_file>" switch. <some_file> specifies the cluster structure (how many procs node by node). You'll also need access to all nodes through ssh without password. My suggestion: make sure you know how to use mpirun on your own PC (which is independent of siesta, there are some dummy parallell programs out there you could try, such as calculating \pi). when that's under control, ask your local guru how to use the cluster. Good luck, Roberto On 08/05/2015 05:46 AM, Hamidreza Balangi wrote: > hi, > dear friends, > I have compiled two version of the siesta in my system (old version siesta-2.0.2 and new version siesta-3.2 that is parallel) > but when run parallel in system, siesta-2.0.2 start to run.(that it is not parallel). > > I will be appreciated your comments and guidances. > Thanks in advance, > kind regards, > H.R. Balangi >
