Dear Prof. Blaha and Duy Le
Thanks for your help, but I found modifying "lapw1cpara" and "lapw1para"
scripts by hand, they can work properly for me.
#####################################################################
#In this section use 0 to turn of an option, 1 to turn it on,
#respectively choose a value
set useremote = 0 # using remote shell to launch processes
set mpiremote = 1 # using remote shell to launch mpi
set delay = 1 # delay launching of processes by n seconds
set sleepy = 1 # additional sleep before checking
set debug = 0 # verbosity of debugging output
#####################################################################
Thanks once again
Ricardo
-------------------------------------------------------------------------
Dr. Ricardo Faccio
Prof. Adjunto de F?sica
Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA
Facultad de Qu?mica, Universidad de la Rep?blica
Av. Gral. Flores 2124, C.C. 1157
C.P. 11800, Montevideo, Uruguay.
E-mail: 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
---------------------------------------------------------------------------------
----- Original Message -----
From: "Peter Blaha" <pbl...@theochem.tuwien.ac.at>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Friday, October 02, 2009 3:40 AM
Subject: Re: [Wien] parallel calculation stops waiting for a pass inssh
root at localhost
> 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 F?sica
>> Mail: Cryssmat-Lab., C?tedra de F?sica, DETEMA
>> Facultad de Qu?mica, Universidad de la Rep?blica
>> 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
> -----------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
