[molpro-user] Molpro compilation failure

jon jrs221 at bham.ac.uk
Thu May 20 16:37:19 BST 2010


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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