[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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