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

[Shen Li Qiu]

Hi Laurence,

At 04:02 PM 3/19/2007 -0500, you wrote:
>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.
>

My question is: why the same job does not crash on Dell cluster but crashes
on Altix 3000? The same version of WIEN2k_07 and same compiler are used on
both machines and all the parameters used in the initializations are the same.

Shen Li


>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/
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