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
