[CPMD-list] Coredump on SP4

[Balasubramanian Sundaram]

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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