molpro 2002.1 on aix power2 machine

[millard alexander]

i have installed molpro2002.1 successfully on my power3, rs6000/44P 
machine (aix 4.3.3, xlf 7).  when i try to do an install on my power2,
rs6000/397 machine (aix 4.3.3, xlf7), the program compiles and links 
successfully, however, when i run it, i get the following cryptic
error message
Received signal 4 Illegal instruction
Received signal 5 Trace trap

the config file is
# MOLPRO CONFIG generated at Fri Apr 12 12:10:47 EDT 2002 with version 
2002.1
#               for host mha-ibm7.umd.edu, architecture unix unix-i4 
unix-ibm
#
#  insert additional hosts before mha-ibm7.umd.edu in above line, if desired
#
ARCHITECTURE="unix unix-i4 unix-ibm"

#If you have a POWER2 machine, consider adding -qarch=pwr2 to the FOPT 
options.
Power3 should just work.

# Compilers ..
CC="cc -qmaxmem=-1"
FC="/usr/bin/xlf_r -I. -I/scratch/werner/molpro2002.1/src -NA16384 
-NQ20000 -qch
arlen=1024 -qextname -qmaxmem=-1 -qnolm -qarch=pwr2 -qsmp=omp"
F90="/usr/bin/xlf_r -I. -I/scratch/werner/molpro2002.1/src -NA16384 
-NQ20000 -qc
harlen=1024 -qextname -qmaxmem=-1 -qnolm -qarch=pwr2 -qsmp=omp"
# compiler command to be used only when linking molpro.exe .. eg mpxlf 
on IBM SP
LINKFC="/usr/bin/xlf_r -I. -I/scratch/werner/molpro2002.1/src -NA16384 
-NQ20000
-qcharlen=1024 -qextname -qmaxmem=-1 -qnolm -qarch=pwr2 -qsmp=omp"
YACC="yacc"
ARFLAGS="-r"
# C defines
# nb    SEEK is disk seek speed in seconds
#       SPEED is disk transfer rate in 8 bytes/second
# compiler optimisation
COPT="-O2"
FOPT="-O3"
# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=200000 -qarch=pwr2 -DAIX_SHM=0 -DAIX42 -DNOALRM  "
CNOPT=" "
COPT1="-O1"
COPT2="-O2"
FNOPT="-qnosmp"
FOPT1="-O1 -qnosmp"
FOPT2="-O2 -qnosmp"
FOPT3="-O3"
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC=" "
# 64-bit integers
FI64=" "
# profiling
FPROFILE="-p"
CPROFILE="-p"
# additional pre-processor flags
FTCFLAGS=" blas1 blas2 blas3"
# additional directories to be compiled in mpp case
MPPDIR=""
# additional libraries and link options
LIBS=" "
LINKOPT=" "
# non-standard location of system libraries
LIBDIR=""
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB="-lesslp2"
# LAPACK library
LAPACKLIB=""
# MPP?
MPP="0"
MPPX="0"
USE_MPI=""
MPI_LIB=""
MPITYPE=""
MPIBASEDIR=""
# files in src/ to be compiled without optimization
F77VERSION=""
NO_OPT="opt/frequencies.f util/driver.f argos/arpseu.f multi/muinp1.f 
argos/arin
p.f seward/seward_aux4.f util/geom.f opt/bmat.f opt/lindh.f 
direct/dmp2_5.f forc
es/alaska3.f local/kijmltp.f util/aoint_matrix.f"
F_OPT1="util/zmatrix.f"
F_OPT2="lsint/lsint2.f Molcas/her11.f Molcas/pget2.f Molcas/hrr2da.f 
Molcas/hrr2
db.f Molcas/hrr2da_mck.f Molcas/hrr2db_mck.f Molcas/rys2dg.f 
mrci/cirs2den.f loc
al/mltexp.f ccsd/t2tran.f Slapaf/ddv.f forces/kraft1b.f mpp/tasks.f 
Molcas/ptran
s.f eom/dolresi.f"
F_OPT3=" "
C_OPT1=" "
C_OPT2=" "
# use malloc replacement?
GMALLOC="0"
# ranlib command (if not needed, true)
RANLIB="true"
# ls command to get user and group
LSFULL="ls -l"
# cp -p if it exists, else cp
CP="cp -p"
# tar command
TAR="tar"
# awk command
AWK="awk"
# installation directories
INSTBIN="/scratch/werner/bin"
INSTLIB="/scratch/werner/lib/molpro-2002.1"
INSTHTML="/home/werner/public_html/molpro/molpro2002.1"
INSTCGI="/home/werner/public_html/molpro/molpro2002.1"
# makedepend configuration
MAKEDEPEND_OPTIONS=""
MODULE_SUFFIX="mod"
# tuning parameters
PARSE=parse-rs6000-ibm-aix4.3.3.0-i4.o.gz


does anyone have any suggestions?


-- 
Millard Alexander, Distinguished University Professor
Department of Chemistry and Biochemistry
University of Maryland, College Park, MD 20742-2021
tel:  1.301.405.1823     fax:  1.301.314.9121
email:  mha at wam.umd.edu
http:  www.chem.umd.edu/physical/alexander/index.html