[CPMD-list] Coredump on SP4

[Ari P Seitsonen]

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
>