[molpro-user] MOLPRO 2012.1 compilation problem

Aristotle Papakondylis papakondylis at chem.uoa.gr
Fri Sep 14 16:17:52 BST 2012


Dear molpro community, I've had problems when compiling molpro 2012.1 
since compilation aborts with the following error message


: catastrophic error: **Internal compiler error: segmentation violation 
signal raised**
Please report this error along with the circumstances in which it 
occurred in a Software Problem Report.
Note: File and line given may not be explicit cause of this error.

compilation aborted for parse.F (code 3)


I am using Intel ifort 11.1.059 on ia64 platform. CONFIG file is attached.
Any help would be appreciated.
Thanks

-- 
_________________________________
Aristotle Papakondylis
Assistant Professor
Physical Chemistry Laboratory
Department of Chemistry
University of Athens
Panepistimiopolis Zografou
157 71 Athens, Greece
Phone:(+30210)7274565
Fax:  (+30210)7274752
e-mail: papakondylis at chem.uoa.gr
_________________________________

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# MOLPRO CONFIG generated at Fri Sep 14 17:23:27 EEST 2012, for host nodeib_01

CONFIGURE_OPTIONS="-mpp" "-mppbase" "/home/soft/ga-4-3-1" "-var" "PREFIX=/home/soft/molpro2012.1" "-var" "INSTBIN=/home/soft/molpro2012.1/bin"

AR=ar
ARCHNAME=Linux/ia64
ARFLAGS=-rS
AWK=awk
BIBTEX=
BLASLIB=-L/opt/intel/Compiler/11.1/059/mkl/lib/64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core
BUILD=p
CAT=cat
CC=/usr/bin/gcc
CCVERSION=4.1.1
CC_FRONT=
CDEBUG=-g $(addprefix $(CDEFINE),_DEBUG)
CDEFINE=-D
CFLAGS=-Wcast-align -Wcast-qual -Wchar-subscripts -Wcomment -Wdeclaration-after-statement -Wformat -Wimplicit -Wimplicit-function-declaration -Wimplicit-int -Wmain -Wmissing-braces -Wmultichar -Wnested-externs -Wparentheses -Wpointer-arith -Wreturn-type -Wsequence-point -Wsign-compare -Wswitch -Wtrigraphs -Wunknown-pragmas -Wunused-function -Wunused-label -Wunused-value -Wunused-variable -Wwrite-strings -pedantic -Wno-long-long
CLEAN=echo 'target clean only available with git cloned versions, please unpack the tarball again'
CLEARSPEEDLIB=
CMPPINCLUDE=/home/soft/ga-4-3-1/include
COPT=-O3
COPT0=-O0
COPT1=-O1
COPT2=-O2
COPT3=-O3
CP=cp -p
CPROFILE=-p
CSCN=cscn
CSFLAGS=-O3 -I. --dynamic
CUDACC=
CUDACCVERSION=
CUDACDEBUG=-g $(addprefix $(CUDACDEFINE),_DEBUG)
CUDACDEFINE=-D
CUDACFLAGS=
CUDACOPT=
CUDACOPT0=-O0
CUDACOPT1=-O1
CUDACOPT2=-O2
CUDACOPT3=-O3
CUDACPROFILE=-p
CXX=/usr/bin/g++
CXXFLAGS=$(filter-out -Wdeclaration-after-statement -Wimplicit -Wimplicit-function-declaration -Wimplicit-int -Wmain -Wnested-externs -Wpointer-sign,$(CFLAGS))
DOXYGEN=/usr/bin/doxygen
ECHO=echo
EXPORT=export
F90FLAGS=-stand f03
FC=/opt/intel/Compiler/11.1/059/bin/ia64/ifort
FCVERSION=11.1
FDEBUG=-g $(addprefix $(FDEFINE),_DEBUG)
FDEFINE=-D
FFLAGS=-i8 -r8 -auto -Vaxlib -WB -ftz -align -cxxlib
FOPT=-O2
FOPT0=-O0
FOPT1=-O1
FOPT2=-O2
FOPT3=-O3
FPP=-fpp
FPROFILE=-p
FSTATIC=
HOSTFILE_FORMAT=%u %N %n %x %d
INSTBIN=/home/soft/molpro2012.1/bin
INST_PL=0
INTEGER=8
LAPACKLIB=
LATEX2HTML=
LAUNCHER=/home/soft/ga-4-3-1/tcgmsg/ipcv4.0/parallel %x
LD_ENV=/opt/intel/Compiler/11.1/059/mkl/lib/64
LD_ENVNAME=LD_LIBRARY_PATH
LIBRARY_SUFFIX=a
LIBS=-lrt -lpthread
LINKOPT=
LN=ln -s
MACROS=MOLPRO MOLPRO_f2003 GA_TOOLS GA_TCGMSG _I8_ BLAS_INT=8 LAPACK_INT=8 MOLPRO_FORCE_VECTOR MOLPRO_HPDIR MOLPRO_NEXTSCALAR MOLPRO_NO_RECURRENCE MOLPRO_NOVECTOR MOLPRO_SCALAR MOLPRO_SHORTLOOP HAVE_BOOST_THREADS _MOLCAS_MPP_ MOLPRO_BLAS MOLPRO_LAPACK
MAKEDEPEND_OPTIONS=-M
MAKEINDEX=
MAPLE=
MAX_INCREMENT_LIBRARY=0
MKDIR=mkdir -p
MODULE_FLAG=-I
MODULE_SUFFIX=mod
MPILIB=
MPPLIB=-L/home/soft/ga-4-3-1/lib/LINUX64 -ltcgmsg -lglobal -lma -lpario -larmci
OBJECT_SUFFIX=o
OPT0=ccabc.F mxmadd.F response.F90 vcff2d.F copyc6.F
OPT1=
OPT2=rdip.F cigps.F drv2el_pg.F t2tran.F ucckext.F cicon.F
OPT3=
PAPER=a4paper
PARSE=parse-Linux-ia64-i8.o
PDFLATEX=
PNAME=molprop_2012_1_Linux_ia64_i8
PREFIX=/home/soft/molpro2012.1/molprop_2012_1_Linux_ia64_i8
PTSIZE=11
PYTHON=/usr/bin/python
RANLIB=ranlib
RM=rm -rf
SHELL=/bin/sh
STRIP=strip
SUFFIXES=F F90 c cpp
TAR=tar -cf
UNTAR=tar -xf
VERBOSE=@
VERSION=2012.1
XSD=/usr/bin/xmllint --noout --schema
XSLT=/usr/bin/xsltproc
YACC=bison -b y

.SUFFIXES:
MAKEFLAGS+=-r
ifneq ($(LD_ENVNAME),)
$(LD_ENVNAME):=$(LD_ENV):$($(LD_ENVNAME))
endif


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