[molpro-user] Molpro compilation failure

[Manhui Wang]

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
> 
> 
> _______________________________________________
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> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user

-- 
-----------
Manhui  Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
Telephone: +44 (0)29208 76637