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
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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