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

Mon Apr 27 19:09:28 BST 2009

Jacek,

This is a known problem (see mailing list archives for February) with
the Intel compiler, which Molpro automatically avoids if you have all of
the latest patches applied.

Best wishes,

Andy

jacek klos wrote:
> 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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