[molpro-user] Molpro compilation failure

[Andy May]

Patch 2009.1.fixes22 backports the patch needed to allow Molpro to build
with GA 4.3.

Best wishes,

Andy

On 20/05/10 17:33, Manhui Wang wrote:
> Dear Jonathan,
>      This is a known problem with GA 4.3. It has been fixed in
> development version, and will be backported to 2009.1. At the moment,
> please built molpro2009.1 with GA 4.2, which seems to be more stable
> than GA 4.3.
> 
> Best wishes,
> Manhui
> 
> jon wrote:
>> Dear Molpro users,
>>
>> While compiling Molpro with the mpp libraries we received the following error:
>>
>> gmake[2]: Entering directory `/home/gaussian/molpro2009.1/src/mpp'
>> Rebuilding mpp/depend
>> makedepend failed
>> gmake[2]: *** [depend] Error 1
>> gmake[2]: Target `default' not remade because of errors.
>> gmake[2]: Leaving directory `/home/gaussian/molpro2009.1/src/mpp'
>> gmake[1]: *** [mpp] Error 2
>> gmake[1]: Leaving directory `/home/gaussian/molpro2009.1/src'
>> gmake: *** [src] Error 2
>>
>>
>> The config file is below, we went through and checked that the libraries, 
>> executable etc. were in the directory specified below, but it still fails 
>> while rebuilding the mpp/depend.  Could anyone shed some light on what could 
>> be the problem.
>>
>> Thanks
>>
>> Jonathan Smale
>> School of Chemistry
>> University of Birmingham
>>
>>
>> # MOLPRO CONFIG generated at Thu May 20 15:40:23 BST 2010, for host che-
>> hydra.bham.ac.uk
>>
>> CONFIGURE_OPTIONS="-mpp" "-mppbase" "/usr/local/ga-4-3" "-mpp" "-mppbase" 
>> "/usr/local/ga-4-3" "-x86_64"
>>
>> AR=ar
>> ARCHNAME=Linux/x86_64
>> ARFLAGS=-rS
>> AWK=awk
>> BIBTEX=/usr/bin/bibtex
>> BLASLIB=
>> BUILD=p
>> CAT=cat
>> CC=/usr/bin/gcc
>> CCVERSION=4.1.2
>> CC_FRONT=
>> CDEBUG=-g
>> CDEFINE=-D
>> CFLAGS=-fPIC -m64 -DMOLPROC_PAR -DINT64 -DZLIB
>> CLEARSPEEDLIB=
>> CMPPINCLUDE=/usr/local/ga-4-3/include
>> 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=
>> DOXYGEN=
>> ECHO=echo
>> EXPORT=export
>> F90FLAGS=
>> FC=/global64/pgi/linux86-64/10.4/bin/pgf90
>> FCVERSION=10.4
>> FDEBUG=-g
>> FDEFINE=-D
>> FFLAGS=-i8 -r8 -fPIC -pc 64 -Mcache_align
>> FOPT=-fastsse
>> FOPT0=-O0
>> FOPT1=-O1
>> FOPT2=-O2
>> FOPT3=-O3
>> FPP=-Mpreprocess
>> FPROFILE=-p
>> FSTATIC=
>> FTCFLAGS=molpro unix unix-i8 Linux ga sf eaf mpi-io mpp blas0
>> F_OPT0=
>> F_OPT1=
>> F_OPT2=
>> F_OPT3=optconical.f
>> GROUPPOS=4
>> HDF5=
>> HOSTFILE_FORMAT=%N
>> INSTBIN=/usr/local/bin
>> INSTHTML=/home/gaussian/public_html/molpro/molpro2009.1
>> INSTLIB=/usr/local/lib/molprop_2009_1_Linux_x86_64_i8
>> INTEGER=8
>> LAPACKLIB=
>> LATEX2HTML=
>> LAUNCHER=/usr/local/bin/mpiexec -machinefile %h -np %n %x
>> LD_ENV=
>> LD_ENVNAME=LD_LIBRARY_PATH
>> LIBRARY_SUFFIX=a
>> LIBS=-lz
>> LIBS_FRONT=
>> LINKOPT=
>> LINKOPT_FRONT=
>> LN=ln -s
>> LSFULL=ls -l
>> MACROS=MOLPRO MOLPRO_pgf90 GA_TOOLS GA_TCGMSG_MPI _I8_ 
>> LAPACK_INT=8 _MOLCAS_MPP_
>> MAKEDEPEND_OPTIONS=
>> MAKEINDEX=/usr/bin/makeindex
>> MAPLE=
>> MKDIR=mkdir -p
>> MODULE_FLAG=-I
>> MODULE_SUFFIX=mod
>> MOLPRO_CACHE=
>> MOLPRO_FLOPDGM=
>> MOLPRO_FLOPDGV=
>> MOLPRO_FLOPMXM=
>> MOLPRO_FLOPMXV=
>> MOLPRO_MINDGC=
>> MOLPRO_MINDGL=
>> MOLPRO_MINDGM=
>> MOLPRO_MINDGR=
>> MOLPRO_MINDGV=
>> MOLPRO_MXMBLK=
>> MOLPRO_MXMBLN=
>> MOLPRO_SHAREDLIB=1
>> MOLPRO_UNROLL=
>> MPILIB=-I/usr/local/include -L/usr/local/lib -L/usr/local/lib -lmpich -lopa -
>> lpthread -lrt
>> MPPLIB=-L/usr/local/ga-4-3/lib/LINUX64 -ltcgmsg-mpi -lglobal -lma -lpario -
>> larmci
>> OBJECT_SUFFIX=o
>> OWNERPOS=3
>> PAPER=a4paper
>> PARSE=parse-Linux-x86_64-i8.o
>> PATCHER=patcher.exe
>> PDFLATEX=/usr/bin/pdflatex -halt-on-error
>> PNAME=molprop_2009_1_Linux_x86_64_i8
>> PTSIZE=11
>> RANLIB=ranlib
>> RM=rm -rf
>> SHAREDLIBFLAGS=-shared --whole-archive ../lib/libmolpro.a --no-whole-archive -
>> rpath-link .
>> SHAREDLIBSUFFIX=so
>> SHELL=/bin/sh
>> STRIP=strip
>> TAR=tar -cf
>> UNTAR=tar -xf
>> VERSION=2009.1
>> XSD=/usr/bin/xmllint --noout --schema
>> XSLT=/usr/bin/xsltproc
>> YACC=bison -b y
>>
>> .SUFFIXES:
>> MAKEFLAGS+=-r
>>
>>
>> _______________________________________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
>