[Wien] LAPW2 crashed on Altix 3000 but not on Dell cluster

[Laurence Marks]

Look at case.output2 to try and see why it crashed. Probably you were
using GAUSS smearing which can be flakey (numerically) -- TEMP is more
robust. Alternatively you did not go high enough in energy in
case.in1, or had too many eigenvalues.

On 3/19/07, Shen Li Qiu <qiu at fau.edu> wrote:
> Hi all,
> LAPW2 crashed on Altix 3000 with the following messages:
>
> (1) Message in the "dayfile":
> >   lapw2 -c -up -p     (10:19:08) running LAPW2 in parallel mode
> **  LAPW2 crashed!
> 1.637u 0.191s 0:03.10 58.7%     0+0k 0+0io 0pf+0w
> error: command   /home/qiu/WIEN07/lapw2cpara -up -c uplapw2.def   failed
> >   stop error
>
> (2) Message in "STDOUT":
> LAPW1 END
> FERMI - Error
> cp: cannot stat `.in.tmp': No such file or directory
> rm: cannot remove `.in.tmp': No such file or directory
> rm: cannot remove `.in.tmp1': No such file or directory
> "STDOUT" 25L, 409C
>
>  The latest version of WIEN2k_07 was compiled without error on Altix 3000
> (with shared memory and MPI) using ifort and icc.
>
>  Exactly the same calculation runs OK on a Dell cluster (without shared
> memory and MPI) using the latest version of WIEN2k_07, which indicates that
> the crash of lapw2 on Altix 3000 should not be due to the calculation itself.
>
>  The compiling settings on Altix 3000 are:
>  Current settings:
>      O   Compiler options:        -O3 -tpp2 -ftz -ip -fno-alias -cm -w -FR
> -DALTIX -DINTEL_VML
>      L   Linker Flags:            -L../SRC_lib -Vaxlib
>      P   Preprocessor flags       '-DParallel'
>      R   R_LIB (LAPACK+BLAS):     -L/usr/local/GotoBLAS1.06
> -lgoto_ITANIUM2p-r1.06 -lscs -L/opt/intel/mkl/8.0.2/lib/64 -lvml
>
> Please help me to figure out what causes the crash of lapw2 on Altix 3000.
> Please let me know if you need further information.
>
> Thanks in advance.
>
> Shen Li Qiu
>
>
>
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
EMM2007 http://ns.crys.ras.ru/EMMM07/