[CPMD-list] Coredump on SP4

[Balasubramanian Sundaram]

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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