[molpro-user] Catastrophic error: internal compiler error on src/local/geminal.f
jacek klos
jklos at umd.edu
Tue Apr 28 16:00:50 BST 2009
Dear Andy,
I used 'make patch" to apply patches but on my Mac Pro after
application of patches and issuing 'make' command it was complaining
that 'some files are not on the FOPT list' or something like that.
So I downloaded new source with the latest patches included and
compilation of parallel molpro with mpich2 and GA-4.1.1 went with no
problem. I could start mpp test with 8 cpus and all go OK except the
following one with restart:
make MOLPRO_OPTIONS=-n8 test
make[1]: Nothing to be done for `default'.
make[2]: `../lib/libmolpro.a' is up to date.
make[2]: `../bin/molpro.exe' is up to date.
make[1]: Nothing to be done for `default'.
Running job h2o_restart2.test
Read error in iow_direct_read; fd=12, l=20, p=114290; read returns 0
Read error in iow_direct_read; fd=12, l=20, p=114290; read returns 0
Read error in iow_direct_read; fd=12, l=20, p=114290; read returns 0
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:40342):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:40343):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:40341):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
ERROR in 'expr-expr' length of vectors don't match
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:40340):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
ERROR in 'expr-expr' length of vectors don't match
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:40337):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
**** PROBLEMS WITH JOB h2o_restart2.test
**** For further information, look in the output file
**** /Users/jklos/Molpro/MPP/molpro2008.1/testjobs/h2o_restart2.errout
Running job system.test
**** PROBLEMS WITH JOB system.test
Binary file system.out matches
**** For further information, look in the output file
**** /Users/jklos/Molpro/MPP/molpro2008.1/testjobs/system.errout
Running job c6h6_freq_restart.test
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:66298):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:66299):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
Read error in iow_direct_read; fd=12, l=16, p=300349; read returns 0
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:66297):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
Read error in iow_direct_read; fd=12, l=1, p=300349; read returns 0
Read error in iow_direct_read; fd=12, l=1, p=300349; read returns 0
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:66296):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
0:0:fehler on processor 0:: -1
(rank:0 hostname: pid:66301):ARMCI DASSERT fail. armci.c:ARMCI_Error():
260 cond:0
I used following commands to compile mpich2 and GA-4.1.1 on MacPro
with ifort 11.064:
for mpich2 64bit:
export F77=ifort
export F90=ifort
export CFLAGS="-arch x86_64 -mmacosx-version-min=10.5 -m64 -O3 -DMACOS"
./configure --prefix=/usr/local/mpich2_64bit
for GA-4.1.1 64bit
make TARGET=MACX FC=ifort CC=gcc COPT="-arch x86_64 -mmacosx-version-
min=10.5 -m64 -O3 -DMACOS" MPI_INCLUDE=/usr/local/mpich2_64bit/
include MPI_LIB=/usr/local/mpich2_64bit/lib LIBMPI="-lmpich -lpmpich"
USE_MPI=yes
Many thanks
Jacek
On Apr 27, 2009, at 8:09 PM, Andy May wrote:
> 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
>> __________________________________
>>
>>
>>
>>
>>
>>
>> ------------------------------------------------------------------------
>>
>> _______________________________________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
> _______________________________________________
> Molpro-user mailing list
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__________________________________
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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