[Wien] lapw2 stops

[Robert Laskowski]

and what is at the end of the output2_proc_0?

Robert

On Thursday 29 January 2009, Oleg Artamonov wrote:
> Dear Robert Laskowski,
> 
> Thans for reply.
> 
> > hej,
> >
> > What does -traceback show, where does it crash? Did you try -check.
> 
> This is from case.dayfile
> *****************
>     cycle 1 	(Thu Jan 29 12:23:19 MSK 2009) 	(40/99 to go)
> 
> >   lapw0 	(12:23:19) 39.958u 1.652s 0:42.62 97.6%	0+0k 0+0io 0pf+0w
> >   lapw1   	(12:24:02) 418.846u 6.664s 7:08.84 99.2%	0+0k 0+0io 0pf+0w
> >   lapw2  	(12:31:11) Segmentation fault
> 0.232u 0.020s 0:00.50 50.0%	0+0k 0+0io 0pf+0w
> error: command   /home/senina/Wien_08_3_parallel/lapw2 lapw2.def   failed
> 
> >   stop error
> ************************
> 
> > What is in output2_proc_0 ?
> >
> This is the beginning of case.output2_proc_0
> *******************
>  init_parallel_2           0           8           1           8           1
> Running LAPW2 on            2  processors
> 
> MPI run on            8  processors in MPI_COMM_WORLD
>                        8  processors in MPI_vec_COMM (atoms splitting)
>                        1  processors in MPI_atoms_COMM (vector splitting)
>              myid=            0
>          myid_atm=            0
>          myid_vec=            0
> 
>   Modus: TOT
> no read error
> RECPR LIST: NOFI
> 
> 
> 
> 
>                               --------------------------------------------------
>                                  S T R U C T U R A L   I N F O R M A T I O N
>                               --------------------------------------------------
> 
> 
>    SUBSTANCE                    = octavetmp
> 
>    LATTICE                      = P
>    LATTICE CONSTANTS ARE        =    5.4518540   5.4518540 114.0000000
>    NUMBER OF ATOMS IN UNITCELL  =  11
>    MODE OF CALCULATION IS       = RELA
>    TYPE OF COORDINATES IN DSPLIT=
> generate new recprlist
>   KXMAX,KYMAX,KZMAX          11          11         218
>          8772 PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L)
> 
> nwav1,kn       11111        8772
>        KVEC(         1) =     0    0    0    0.0000    1
> *******************
> Thank you,
>                     Oleg.
> 
> 
> > regards
> >
> > Robert
> >
> > On Wednesday 28 January 2009, Oleg Artamonov wrote:
> >> Dear Wien users and leaders,
> >>
> >> The run_lapw (as well as run_lapw -p) works normal for the 7-layer 
> >> surface
> >> of W and stops at the beginning of lapw2 for
> >> the 22-layer surface of Au.
> >>
> >> We use (48 node *4 core) cluster with 2*Intel Xeon 5335, OS = Linux SLES 
> >> 10
> >> SP1,
> >> for parallelization - mvapich-1/0/0-1844, infinityband.
> >> The siteconfig options are:
> >> 1) For MPI ( mvapich ) parallelization:
> >>
> >> RP_LIB(SCALAPACK+PBLAS): -lmkl_intel_lp64 -lmkl_scalapack_lp64
> >> -lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t
> >>
> >> FPOPT(par.comp.options): $(FOPT) -lmkl_intel_lp64 -lmkl_scalapack_lp64
> >> -lmkl_blacs_lp64 -lmkl_sequential -lmkl_core -liomp5 -pthread -i-static
> >>
> >> MPIRUN commando        : /share/mvapich-1.0.1-intel/bin/mpirun_rsh
> >>
> >> 2) For serial work:
> >> Compiler 
> >> options:        -FR -mp1 -prec_div -r8 -pc80 -fpconstant -traceback
> >> -pad -align -O3 -ipo1 -DINTEL_VML -i-static -fminshared -xT -thread
> >> -DINTEL_VML
> >>
> >> Linker Flags:            -L/opt/intel/mkl/10.0.3.020/lib/em64t
> >>
> >> Preprocessor flags       '-DParallel'
> >>
> >> R_LIB (LAPACK+BLAS):     $(FPOPT) -lmkl_intel_lp64 -lmkl_scalapack_lp64
> >> -lmkl_blacs_lp64 -lmkl_sequential -lmkl_core -liomp5 -pthread -i-static
> >>
> >> Thanks in advance for any suggestions,
> >> 
> >> Oleg
> >> Artamonov/
> >>
> >>
> >>
> >> _______________________________________________
> >> Wien mailing list
> >> Wien at zeus.theochem.tuwien.ac.at
> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >>
> >
> >
> >
> >
> > -- 
> > Dr Robert Laskowski
> >
> > Vienna University of Technology,
> > Institute of Materials Chemistry,
> > Getreidemarkt 9/165-TC, A-1060 Vienna
> >
> > tel. +43 1 58801 15686
> > Fax  +43 1 58801 15698
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > 
> 
> 
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> 



-- 
Dr Robert Laskowski

Vienna University of Technology, 
Institute of Materials Chemistry, 
Getreidemarkt 9/165-TC, A-1060 Vienna

tel. +43 1 58801 15686
Fax  +43 1 58801 15698