[Wien] parallel calculation stops waiting for a pass in ssh root at localhost

[Peter Blaha]

First about "security":   You should NOT run ieN2k as user "root".

root is the system administrator, and one should be root ONLY when doing 
sysadmin tasks.
Create a "regular" user and run "normal work" as restricted user.

k-parallelization has 2 options during siteconfig:

"shared memory" machine: This does NOT use ssh to span the parallel 
jobs, but simply starts eg. 4 lapw1 jobs (in "background") on the local 
machine. This is the most simple option when you have eg. a single 
quadcore PC, but you cannot parallelize between 2 different PCs.

"no shared memory": It will use a command like
ssh pcX  lapw0 lapw0.def ...
to start a job on a remote but also on the local computer.

Thus you need to be able to do "passwordless ssh"  to your local computer.

Try   ssh localhost    and you must be able to login WITHOUT typing a 
password. For setup of this you must use ssh-keygen, for details see eg. 
the UG.


Ricardo Faccio schrieb:
> Dear Wien users
> 
> I have some problems in using parallelization over kpoints in the latest 
> release of WIEN2k. It is important to mention that I had no troubles in 
> the past with my settings.
> 
> In particular I am working with dual-core pc desktops, and one Quad-core 
> machines, individually. For instance, in a simple parallel setup, the 
> typical test_case, I found this:
> 
> ---------
> 
> root at rfaccio:/home/rfaccio/calculo/wien2k/test_case# x lapw1 -c -up -p
> 
> starting parallel lapw1 at Thu Oct  1 23:32:56 UYT 2009
> 
> ->  starting parallel LAPW1 jobs at Thu Oct  1 23:32:56 UYT 2009
> 
> running LAPW1 in parallel mode (using .machines)
> 
> 2 number_of_parallel_jobs
> 
> [1] 30629
> 
> root at localhost's password:
> 
> ---------
> 
> As you can see the code keeps waiting for my password. It never happened 
> before, and it seems to have no relationship with the shared memory 
> setup because I used the same flags than in previous release versions.
> 
> I use this .machine file:
> 
> 1:localhost
> 
> 1:localhost
> 
> granularity:1
> 
> extrafine:1
> 
> I would like to know if there exist an easy way to fix it, because I 
> would like to avoid any important modification in my security pc's stuff.
> 
> Is it a new modification? or a strictly problem of the user (me!)
> 
> Thanks in advance
> 
> Ricardo
> 
> p.s.: this is my OPTION file
> 
> current:FOPT:-FR -O3 -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML
> 
> current:FPOPT:$(FOPT)
> 
> current:LDFLAGS:$(FOPT) -L/opt/intel/Compiler/11.0/081/mkl/lib/em64t 
> -pthread -i-static
> 
> current:DPARALLEL:'-DParallel'
> 
> current:R_LIBS:-lmkl_lapack -lmkl -lguide -lmkl_scalapack -lmkl_blacs_lp64
> 
> current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 
> -lmkl_sequential -L /opt/local/fftw/lib/ -lfftw_mpi -lfftw
> 
> current:MPIRUN:
> 
> -------------------------------------------------------------------------
>   Dr. Ricardo Faccio
>   Prof. Adjunto de Física
>   Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
>   Facultad de Química, Universidad de la República
>        Av. Gral. Flores 2124, C.C. 1157
>        C.P. 11800, Montevideo, Uruguay.
>   E-mail: rfaccio at fq.edu.uy <mailto:rfaccio at fq.edu.uy>
>   Phone: 598 2 924 98 59
>               598 2 929 06 48
>   Fax:    598 2 9241906
>   Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
> ---------------------------------------------------------------------------------
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------