[CPMD-list] Coredump on SP4

[Ari P Seitsonen]

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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