[Wien] Fwd: Re: MPI stuck at lapw0

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Oct 23 13:42:46 CEST 2017




-------- Forwarded Message --------
Subject: Re: [Wien] MPI stuck at lapw0
Date: Mon, 23 Oct 2017 13:41:28 +0200
From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
To: Luigi Maduro - TNW <L.A.Maduro at tudelft.nl>

There are 2 different things:

lapw0para  executes:
     $remote  $machine "cd $PWD;$t $exe $def.def"

where $remote is either ssh or rsh (depending on your configuration setup)

once this is defined, it goes to the remote node and executes
$exe, which usually refers to   mpirun

mpirun is a script on your system, and it may acknowledge this
  I_MPI_HYDRA_BOOTSTRAP=rsh   variable, while by default it seems to do 
ssh (even if your system does not support this). WIEN2k does not know 
about such variable and assumes that a plain   mpirun  will do the 
correct thing.
The sysadmin should setup the system such that rsh is used by default 
with mpirun, or should tell people, which mpi-commands/variables they 
should set.


PS: I do not quite understand how it can happen that you get rsh in 
lapw1para, but ssh in lapw0para ??


On 10/23/2017 01:13 PM, Luigi Maduro - TNW wrote:
> It seems that lapw0 and nlvdw does not use “rsh” even when specified
> during parallel options configuration.
> However, when setting in the .bashrc file:
>
> export I_MPI_HYDRA_BOOTSTRAP=rsh
>
>
>
> Then the job does connect to the other nodes in the system.
>
>
>
>
>
> PhD candidate
> Kavli Institute of Nanoscience
>
> Department of Quantum Nanoscience
>
> Faculty of Applied Sciences
>
> Delft University of Technology
>
>
>

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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