[Wien] Parallel calculation in more than 2 nodes

[Laurence Marks]

What are you using in parallel_options? The statement:
"parallel option file: # setenv WIEN_MPIRUN "srun -K1 _EXEC_"
Because of compatible issues, we don't use srun by commented the
WIEN_MPIRUN line in parallel option file and use the mpirun directly." is
ambiguous.

What mpi?
_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Tue, Jul 21, 2020, 05:48 MA Weiliang <weiliang.MA at etu.univ-amu.fr> wrote:

> Dear WIEN2K users,
>
> The cluster we used is a memory shared system with 16 cpus per node. The
> calculation distributed in 2 nodes with 32 cpus. But actually all the mpi
> processes were running in the first node according to the attached top
> ouput. There were not processes in the second nodes.  As you can see, the
> usage of cpu is around 50%. It seemes that the calculation didn't
> distribute in 2 nodes, but only splitted the fisrt node (16 cpus) into 32
> prcesses with half computing power.
>
> Do you have any ideas for this problem? The .machines, wien2k info,
> dayfile and job output are attached below. Thank you!
>
> Best,
> Weiliang
>
>
> #========================================#
> #  output of top
> #----------------------------------------#
>   PID USER     PR  NI  VIRT  RES  SHR S %CPU %MEM    TIME+  COMMAND
> 43504 mc        20   0  614m 262m  27m R 50.2  0.3  21:45.54 lapw1c_mpi
> 43507 mc
>
> granularity:1
> extrafine:1
>
>
> #========================================#
> # wien2k info
> #----------------------------------------#
> wien2k version: 18.2
> complier: ifort, icc, mpiifort (intel 2017 compliers)
> parallel option file: # setenv WIEN_MPIRUN "srun -K1 _EXEC_"
> Because of compatible issues, we don't use srun by commented the
> WIEN_MPIRUN line in parallel option file and use the mpirun directly.
>
>
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