[molpro-user] serial compile call parallel routines

TOMAS VELOZ tveloz at gmail.com
Fri Mar 24 21:57:30 GMT 2006


Hello:
i'm trying to compile Molpro in serial, I have a Intel Xeon 32 with
intel fortran and c compilers and intel mkl libraries
i have some troubles:
first, when is preprocesing...compiling....done, i have a problem with
init_tlist.f, send internal error of fortran compiler, i fixed it
compiling manually that code.

then when is linking molpro.exe ,ie:
linking molpro.exe
failed
sends a lot of problems (undefined reference) to some values like
ga_initialize, mitob_,pbeginf_, etc, in functions which are in src/mpp
but i'm not trying to compile in parallel.
 what can i do??
this is my CONFIG:
# Compilers ..
CC="icc -g"
FC="/home/eduardo/intel/fc/9.0/bin/ifort -g"
F90="/home/eduardo/intel/fc/9.0/bin/ifort -g"
# compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP
LINKFC="/home/eduardo/intel/fc/9.0/bin/ifort -g"
YACC="bison -b y"
ARFLAGS="-r"
# C defines
# nb    SEEK is disk seek speed in seconds
#       SPEED is disk transfer rate in 8 bytes/second
# compiler optimisation
COPT="-O2"
FOPT="-O2"# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=200000   -DLARGEFILES -DZLIB -DHAVE_INTTYPES_H  "
CNOPT=" "
COPT1="-O1"
COPT2="-O2"
FNOPT="-O0"
FOPT1="-O1"
FOPT2="-O2"
FOPT3="-O2 "
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC=" "
# 64-bit integers
FI64=" "
# profiling
FPROFILE="-p"
CPROFILE="-p"
# additional pre-processor flags
FTCFLAGS="blas1 blas2 blas3 lapack"
# additional directories to be compiled in mpp case
MPPDIR=""# additional libraries and link options
LIBS="-lz"
LINKOPT=""
# non-standard location of system libraries
LIBDIR=""
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB="-L/home/eduardo/intel/mkl/8.0.1/lib/32 -lmkl_ia32 -lguide -lpthread"
# LAPACK library
LAPACKLIB="-L/home/eduardo/intel/mkl/8.0.1/lib/32 -lmkl_lapack "
# MPP?
MPP="0"
MPPX="0"
WRAPPER=""
USE_MPI=""
USE_LAPI=""
USE_MYRINET=""
MPI_LIB=""
MPPNAME=""
ARCHNAME="p4"
MPITYPE=""MYRINET_LIB=""
MYRINET_LINKPARS=""
MPIGM_FORMAT="0"
USE_GIO="0"
# files in src/ to be compiled without optimization
F77VERSION="Intel(R) Fortran Compiler for 32-bit applications, Version
9.0    Build 20050430Z Package ID: l_fc_p_9.0.021"
NO_OPT="blas/lapack0.f"
F_OPT1=" "
F_OPT2=" "
F_OPT3=" "
C_OPT1=" "
C_OPT2=" "
# ranlib command (if not needed, true)
RANLIB="true"
# ls command to get user and group
LSFULL="ls -l"
# cp -p if it exists, else cp
CP="cp -p"
# tar command
TAR="tar"
# awk command
AWK="awk"
# strip command

MPIBASEDIR=""
RANLIB="true"
# ls command to get user and group
LSFULL="ls -l"
# cp -p if it exists, else cp
CP="cp -p"
# tar command
TAR="tar"
# awk command
AWK="awk"
# strip command
STRIP="strip"
# installation directories
INSTBIN="/home/eduardo/Molpro/binmol"
INSTLIB="/home/eduardo/Molpro/libmol"
INSTHTML=""
INSTCGI=""
# makedepend configuration
MAKEDEPEND_OPTIONS=""
MODULE_SUFFIX="mod"
# non-default libraries
BLASLIB_p4="-L/home/eduardo/intel/mkl/8.0.1/lib/32 -lmkl_ia32 -lguide -lpthread"
LAPACKLIB_p4="-L/home/eduardo/intel/mkl/8.0.1/lib/32 -lmkl_lapack "
PARSE=parse-i686-pc-linux-gnu-i4.o.gz



thanks




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