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

Ricardo Faccio rfaccio at fq.edu.uy
Fri Oct 2 04:54:20 CEST 2009


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
  Phone: 598 2 924 98 59
              598 2 929 06 48
  Fax:    598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
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