[CPMD-list] Coredump on SP4

[Balasubramanian Sundaram]

dear ari,
        Thanks. I did have it, in one of the early trials. (it too produced a core).

best,
bala

Ari P Seitsonen wrote:
> 
> Dear Bala,
> 
>   Sorry, I meant that you _should_ ave '-DPOINTER8' always when you use 
> '-q64'; it's so in the original architecture files but for some reason 
> you apparently had removed it.
> 
>     Greetings,
> 
>        apsi
> 
> PS Short explanation: '-q64' turns on 64-bit addresses, and CPMD stores
>   the addresses in INTEGER variables; in 64-bit mode they have to be
>   INTEGER*8, that's why the pre-processor flag '-DPOINTER8' in that case
> 
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=- 
> 
>   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
>   CNRS & IMPMC, Université Pierre et Marie Curie
>       4 place Jussieu, case 115 / F-75252 Paris
>   Tel: +33-1-4427 7542, Fax: +33-1-4427 3785, GSM: +33-6-6736 3820
> 
> On Sat, 13 Aug 2005, Balasubramanian Sundaram wrote:
> 
>> Dear Ari and Axel,
>>     Thanks for your suggestions. I used Axel's suggestion of 
>> configuring a Makefile with the "IBM-PWR5-AIX-ESSL-MPI-SMP" keyword, 
>> changed "pwr5" to "pwr4" everywhere, compiled the whole thing and ran 
>> it and it produced an output which is attached with this mail as 
>> file.out_02_392. It did not coredump.
>>
>>    I now removed the -DPOINTER8 in CPPFLAGS, and it produced a core.
>>
>>   I then recompiled control.f, memory.f and freem.f with the command:
>> mpxlf_r -c -O0  -q64 -qmaxmem=32768 -qtune=pwr4 -qarch=pwr4 
>> -qsmp=noopt control.f freem.f memory.f
>>
>> and then did a "make" and ran it and it too produced a core.
>>
>> The final Makefile is:
>> ============================================================================== 
>>
>> #--------------- Default Configuration for IBM-PWR5-AIX-ESSL-MPI-SMP 
>> ---------------
>> SRC  = .
>> DEST = .
>> BIN  = .
>> #QMMM_FLAGS = -D__QMECHCOUPL
>> #QMMM_LIBS  = -L. -lmm
>> FFLAGS =  -q64 -qmaxmem=32768 -qtune=pwr4 -qarch=pwr4 -qsmp=omp
>> LFLAGS = -q64 -L/usr/local/lib -llapack64 -lesslsmp \
>>            -qarch=pwr4 -qsmp=omp $(QMMM_LIBS)
>> CFLAGS =  -q64  -qarch=pwr4
>> CPP =  /usr/ccs/lib/cpp -P
>> CPPFLAGS =  -D__IBM -DLAPACK -DFFT_ESSL  -DMALLOC8 -DPARALLEL 
>> -DMP_LIBRARY=__MPI
>> NOOPT_FLAG =  -O0 -qsmp=noopt
>> CC = xlc_r -c -O3 -qstrict
>> FC = mpxlf_r -c -O3 -qstrict
>> LD = mpxlf_r  -O3 -qstrict
>> AR = /usr/bin/ar ruv
>> #---------------------------------------------------------------------------- 
>>
>> =============================================================================== 
>>
>>
>> dbx gives:
>> [using memory image in core]
>> warning: Unable to access address 0x9001000a004c504 from core
>> pthdb_session.c, 510: 1 PTHDB_CALLBACK (callback failed)
>> pthreaded.c, 1778: PTHDB_CALLBACK (callback failed)
>>
>> Segmentation fault in memory at line 75 in file 
>> "/home/others/jncasr/NEW/CPMD-3.9.2/SOURCE/memory.f"
>>   75         XM(0)=ZFIRST
>> ---------------
>>
>> Thanks again,
>>
>> Regards,
>> Bala
>>
>>
>>
>> Ari P Seitsonen wrote:
>>
>>>
>>> Dear Bala,
>>>
>>>   In addition to Axel's suggestions, have you removed the option 
>>> '-DPOINTER8' from the 'Makefile'?
>>>
>>>     Greetings from Lausanne,
>>>
>>>        apsi
>>>
>>>
>>> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=- 
>>>
>>>   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
>>>   CNRS & IMPMC, Université Pierre et Marie Curie
>>>       4 place Jussieu, case 115 / F-75252 Paris
>>>   Tel: +33-1-4427 7542, Fax: +33-1-4427 3785, GSM: +33-6-6736 3820
>>>
>>> On Fri, 12 Aug 2005, Balasubramanian Sundaram wrote:
>>>
>>>> Hello List Members,
>>>>
>>>>   We are facing a difficulty in running cpmd on an IBM SP4. Here are 
>>>> the details:
>>>>
>>>> Version: CPMD-3.9.2 (May 14th version on cpmd.org site)
>>>>
>>>> The code compiles fine with the following header of the Makefile.
>>>> #--------------- Default Configuration for IBM-SP4-SMP-64 
>>>> ---------------
>>>> SRC  = .
>>>> DEST = .
>>>> BIN  = .
>>>> #QMMM_FLAGS = -D__QMECHCOUPL
>>>> #QMMM_LIBS  = -L. -lmm
>>>> FFLAGS =  -q64 -qtune=pwr4 -qarch=pwr4 -qsmp=omp
>>>> LFLAGS = -L/usr/local/lib -llapack64 -lesslsmp -llapack64 -q64 \
>>>>             -bbinder:/usr/lib/bind -bmaxdata:32768000000 -qarch=pwr4 
>>>> -qsmp=omp $(QMMM_LIBS)
>>>> CFLAGS = $(FFLAGS)
>>>> CPP = /usr/ccs/lib/cpp -P
>>>> CPPFLAGS = -D__IBM -DLAPACK -DPARALLEL=PARALLEL -DFFT_ESSL 
>>>> -DMP_LIBRARY=__MPI
>>>> NOOPT_FLAG =
>>>> CC = xlc_r -c
>>>> FC = mpxlf_r -c
>>>> LD = mpxlf_r
>>>> AR = /usr/bin/ar
>>>> #---------------------------------------------------------------------------- 
>>>>
>>>> However, when we run the Si64-10ryd example (inp.wf) downloaded from 
>>>> Axel's homepage, it coredumps. The same example runs fine on an 
>>>> executable compiled with 3.9.1 version, with a similar Makefile.
>>>>
>>>> Pls. find attached the output of the cpmd-3.9.2 run.
>>>>
>>>> We appreciate any help in this regard,
>>>>
>>>> Many Thanks!
>>>> Bala
>>>
>>>
>>>
>>>>
>>>
>>> ------------------------------------------------------------------------
>>>
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> 
> 
>>