[Wien] wien2k.v09.2 on a single node shared memory machine

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Jan 11 22:15:33 CET 2010


You are "right", the latest siteconfig_lapw has a bug and does not honor 
the shared memory settings during installation.

Nothing else was changed in the code and you can fix this by adding a 
line to $WIENROOT/parallel_options:
setenv USE_REMOTE 0

PS: Aparently hardly anybody uses the shared memory option, because this 
restricts the use of WIEN2k on more than one PC.

PPS: There is a new setting  MPI_REMOTE, which directs/avoids calling 
the mpirun command via ssh.

Saeid Jalali schrieb:
> Dear Peter,
> 
> The latest version of the code, v09.2, needs passwordless ssh for 
> running in parallel even on a single multi cores node in the shared 
> memory set up. This would not be necessary as mentioned also in  Sec. 
> 5.5.1 of the usersguide, and was not also the case for earlier versions 
> of the code, e.g. v08.2.
> 
> We could run in parallel in our shared memory machine only after doing 
> the following unnecessary steps:
> 
> 1)      ssh-keygen –t dsa
> 
> 2)      cd .ssh
> 
> 3)      cat id_dsa.pub >> authorized_keys
> 
> 4)      chmod 644 authorized_keys
> 
>  
> 
> Many users may not observe the above discussed problem, as they are 
> using clusters and not just a single node alone.
> 
>  
> 
> Sincerely yours,
> S. Jalali
> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
> Saeid Jalali Asadabadi,
> Department of Physics, Faculty of Science,
> University of Isfahan (UI), Hezar Gerib Avenue,
> 81744 Isfahan, Iran.
> Phones:
> Dep. of Phys.  :+98-0311-793 2435
> Office              :+98-0311-793 4176
> Fax No.           :+98-0311-793 2409
> E-mail              :sjalali at phys.ui.ac.ir
> Homepage        :http://sci.ui.ac.ir/~sjalali
> www                :http://www.ui.ac.ir
> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/
> 
> 
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