[molpro-user] {SPAM}? 2008.1 on MacPro: Catastrophic error: internal compiler error on src/local/geminal.f

[jacek klos]

Dear Molpro Users and Developers

We got new machines Mac Pro from Apple with dual quad i7 2.66GHz CPUs  
with Mac OS system Leopard:
Darwin hostname 9.6.3 Darwin Kernel Version 9.6.3: Tue Jan 20 18:26:40  
PST 2009; root:xnu-1228.10.33~1/RELEASE_I386 i386

We got the newest ifort compiler for Mac OS X and MKL:
/opt/intel/Compiler/11.0/059/bin/intel64/

When trying to compile molpro 2008.1 with ./configure -i8 option  
compilation goes, but at the src/local/geminal.f file it crashes:

geminal.f(3066): (col. 9) remark: LOOP WAS VECTORIZED.
geminal.f(2971): (col. 9) remark: LOOP WAS VECTORIZED.
geminal.f(2852): (col. 12) remark: LOOP WAS VECTORIZED.
geminal.f(2892): (col. 17) remark: LOOP WAS VECTORIZED.
geminal.f(2751): (col. 9) remark: LOOP WAS VECTORIZED.
geminal.f(2628): (col. 25) remark: LOOP WAS VECTORIZED.
geminal.f(2165): (col. 20) remark: LOOP WAS VECTORIZED.
geminal.f(3137): (col. 11) remark: LOOP WAS VECTORIZED.
geminal.f(553): (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
geminal.f(192): (col. 15) remark: LOOP WAS VECTORIZED.
geminal.f(226): (col. 13) remark: LOOP WAS VECTORIZED.
geminal.f(354): (col. 12) remark: PARTIAL LOOP WAS VECTORIZED.
geminal.f(500): (col. 9) remark: LOOP WAS VECTORIZED.
geminal.f(850): (col. 17) remark: LOOP WAS VECTORIZED.
geminal.f(1752): (col. 14) remark: LOOP WAS VECTORIZED.
geminal.f(1758): (col. 14) remark: LOOP WAS VECTORIZED.
geminal.f(1853): (col. 14) remark: LOOP WAS VECTORIZED.
geminal.f(1950): (col. 15) remark: LOOP WAS VECTORIZED.
geminal.f(2014): (col. 11) remark: LOOP WAS VECTORIZED.
geminal.f(2055): (col. 13) remark: LOOP WAS VECTORIZED0_1871

: catastrophic error: **Internal compiler error: internal abort**  
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.
in file geminal.f, line 2348, column 17

.
compilation aborted for geminal.f (code 3)

When one uses the older ifort version 10.1, the compilation goes OK  
and molpro executables are linked and this
error do not appear.


Here is CONFIG file:

CONFIGURE_OPTIONS="-i8"

AR=ar
ARCHNAME=Darwin/x86_64
ARFLAGS=-rS
AWK=awk
BIBTEX=bibtex
BLASLIB=-L/Library/Frameworks/Intel_MKL.framework/Libraries/em64t - 
lmkl_intel_ilp64 -lmkl_sequential -lmkl_core
BUILD=s
CAT=cat
CC=/usr/bin/gcc
CCVERSION=4.0.1
CC_FRONT=
CDEBUG=-g
CFLAGS=-m64 -DINT64 -DZLIB
CLEARSPEEDLIB=
CMPPINCLUDE=
COPT=-O3
COPT0=-O0
COPT1=-O1
COPT2=-O2
COPT3=-O3
CP=cp -p
CPROFILE=-p
CSCN=cscn
CSFLAGS=-O3 -I. --dynamic
C_OPT0=
C_OPT1=
C_OPT2=
C_OPT3=
EXPORT=export
F90FLAGS=
FC=/opt/intel/Compiler/11.0/059/bin/intel64/ifort
FCVERSION=11.0.059
FDEBUG=-g
FFLAGS=-pc 64 -auto -autodouble -Vaxlib -i8
FMPPINCLUDE=
FOPT=-O3
FOPT0=-O0
FOPT1=-O1
FOPT2=-O2
FOPT3=-O3
FPP=-fpp
FPROFILE=-p
FSTATIC=
FTCFLAGS=unix-i8 Darwin lapack blas1 blas2 blas3
F_OPT0=util/iom.F explicit/explicit_util.f
F_OPT1=
F_OPT2=mrci/cicon.f sapt/integrals.f90 mrci/cirs2iic.f nevpt2/koopro4.F
F_OPT3=
GROUPPOS=4
HDF5=
HOSTFILE_FORMAT=
INSTBIN=/usr/local/bin
INSTHTML=/Users/jklos/public_html/molpro/molpro2008.1
INSTLIB=/usr/local/lib/molpros_2008_1_Darwin_x86_64_i8
INTEGER=8
LAPACKLIB=
LATEX2HTML=latex2html
LAUNCHER=
LD_ENV=/Library/Frameworks/Intel_MKL.framework/Libraries/em64t
LD_ENVNAME=DYLD_LIBRARY_PATH
LIBRARY_SUFFIX=a
LIBS=-lz
LIBS_FRONT=
LINKOPT=-framework CoreFoundation -framework IOKit
LINKOPT_FRONT=
LN=ln -s
LSFULL=ls -l
MAKEDEPEND_OPTIONS=
MAKEINDEX=makeindex
MAPLE=
MKDIR=mkdir -p
MODULE_FLAG=-I
MODULE_SUFFIX=mod
MOLPRO_CACHE=12288
MOLPRO_FLOPDGM=0386
MOLPRO_FLOPDGV=5432
MOLPRO_FLOPMXM=5247
MOLPRO_FLOPMXV=2369
MOLPRO_MINDGC=12
MOLPRO_MINDGL=3
MOLPRO_MINDGM=16
MOLPRO_MINDGR=1
MOLPRO_MINDGV=12
MOLPRO_MXMBLK=64
MOLPRO_MXMBLN=64
MOLPRO_SHAREDLIB=0
MOLPRO_UNROLL=2
MPILIB=
MPPLIB=
OBJECT_SUFFIX=o
OWNERPOS=3
PAPER=a4paper
PARSE=parse-Darwin-x86_64-i8.o
PATCHER=patcher.exe
PDFLATEX=pdflatex
PNAME=molpros_2008_1_Darwin_x86_64_i8
PTSIZE=11
RANLIB=ranlib -c
RM=rm -rf
SHAREDLIBFLAGS=
SHAREDLIBSUFFIX=dylib
SHELL=/bin/sh
STRIP=echo WARNING, strip not used; true
TAR=tar -cf
UNTAR=tar -xf
VERSION=2008.1
XSD=/usr/bin/xmllint --noout --schema
XSLT=/usr/bin/xsltproc
YACC=bison -b y

.SUFFIXES:
MAKEFLAGS+=-r


Has anyone have experience with new ifort 11 on Mac OS X and with  
molpro 2008.1 ?


I think it maybe bug in the new ifort Compiler version, but I guess I  
can't submit this crash report to Intel including geminal.f source  
file due to license agreements.

I will be glad if someone has some experience with it and can share.

Best regards
Jacek Klos


__________________________________
Jacek Klos, Ph. D.
Department of Chemistry and Biochemistry
University of Maryland
College Park, MD 20742 USA
http://www.researcherid.com/rid/A-6457-2008
__________________________________





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