[molpro-user] MPI compile error
Joseph Lane
jlane at alkali.otago.ac.nz
Mon Jul 23 03:50:25 BST 2007
I am having some difficulties compiling molpro 2006.1 with mpi. I can
compile without problems with tcgmsg but get the errors below with mpi.
I am using Global Arrays 4-1b. The GA test jobs run fine.
Any help would be greatly appreciated.
Cheers
Jo
Patch level: 116
molver.f: compiling ... done
linking
/qchem/qchem/install/recompile/molpro2006.1/bin/molprop_2006_1_i8_x86_64_mpi.exe
link failed
/common/intel/fce/9.1.039/bin/ifort -pc 64 -auto -autodouble -Vaxlib -i8
-Wl,-rpath,/opt/intel/mkl/9.1.021/lib/em64t -I./global -w -O3
-Wl,-rpath,/common/intel/fce/9.1.039/lib -openmp -o
/qchem/qchem/install/recompile/molpro2006.1/bin/molprop_2006_1_i8_x86_64_mpi.exe
molver.o molpro.o -L/qchem/qchem/install/recompile/molpro2006.1/lib
-lmolpro -L/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64/ -lglobal
-L/usr/diags/mpich/lib -lmpich
-L/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64/ -lma -lpario -larmci
-lgks0 -L/opt/intel/mkl/9.1.021/lib/em64t -lmkl_em64t
-L/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64/ -lglobal
-L/usr/diags/mpich/lib -lmpich
-L/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64/ -lma -lpario -larmci
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_brdcst_':
globalop.F:(.text+0x17c2): undefined reference to `mdtob_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_get_int_':
globalop.F:(.text+0x1d01): undefined reference to `mitob_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_brdcst_int_':
globalop.F:(.text+0x1dfe): undefined reference to `mitob_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_brdcst_log_':
globalop.F:(.text+0x2374): undefined reference to `mitob_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_brdcst_str_gen_':
globalop.F:(.text+0x2485): undefined reference to `mitob_'
globalop.F:(.text+0x24bb): undefined reference to `mitob_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_snd_':
globalop.F:(.text+0x418c): undefined reference to `mdtob_'
globalop.F:(.text+0x41ac): undefined reference to `snd_'
globalop.F:(.text+0x41be): undefined reference to `mdtob_'
globalop.F:(.text+0x41e0): undefined reference to `snd_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_snd_int_':
globalop.F:(.text+0x4208): undefined reference to `mitob_'
globalop.F:(.text+0x4228): undefined reference to `snd_'
globalop.F:(.text+0x423a): undefined reference to `mitob_'
globalop.F:(.text+0x425c): undefined reference to `snd_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_rcv_':
globalop.F:(.text+0x428d): undefined reference to `mdtob_'
globalop.F:(.text+0x42bc): undefined reference to `rcv_'
globalop.F:(.text+0x42c8): undefined reference to `mdtob_'
globalop.F:(.text+0x42fd): undefined reference to `rcv_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_rcv_int_':
globalop.F:(.text+0x442b): undefined reference to `mitob_'
globalop.F:(.text+0x445a): undefined reference to `rcv_'
globalop.F:(.text+0x4466): undefined reference to `mitob_'
globalop.F:(.text+0x449b): undefined reference to `rcv_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(globalop.o):
In function `global_nextval_':
globalop.F:(.text+0x45ac): undefined reference to `nxtval_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(mpputil.o): In
function `mpp_open_':
mpputil.F:(.text+0x22): undefined reference to `pbeginf_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(mpputil.o): In
function `mpp_close_':
mpputil.F:(.text+0x1883): undefined reference to `pend_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(mpputil.o): In
function `vector_all_to_all_':
mpputil.F:(.text+0x1919): undefined reference to `nodeid_'
mpputil.F:(.text+0x1923): undefined reference to `nnodes_'
mpputil.F:(.text+0x19c3): undefined reference to `mdtob_'
mpputil.F:(.text+0x19ed): undefined reference to `snd_'
mpputil.F:(.text+0x1a0d): undefined reference to `mdtob_'
mpputil.F:(.text+0x1a48): undefined reference to `rcv_'
mpputil.F:(.text+0x1a67): undefined reference to `mdtob_'
mpputil.F:(.text+0x1aa2): undefined reference to `rcv_'
mpputil.F:(.text+0x1ab7): undefined reference to `mdtob_'
mpputil.F:(.text+0x1ae1): undefined reference to `snd_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(mpputil.o): In
function `vector_all_to_all_int_':
mpputil.F:(.text+0x1bf9): undefined reference to `nodeid_'
mpputil.F:(.text+0x1c03): undefined reference to `nnodes_'
mpputil.F:(.text+0x1ca3): undefined reference to `mitob_'
mpputil.F:(.text+0x1ccd): undefined reference to `snd_'
mpputil.F:(.text+0x1ced): undefined reference to `mitob_'
mpputil.F:(.text+0x1d28): undefined reference to `rcv_'
mpputil.F:(.text+0x1d47): undefined reference to `mitob_'
mpputil.F:(.text+0x1d82): undefined reference to `rcv_'
mpputil.F:(.text+0x1d97): undefined reference to `mitob_'
mpputil.F:(.text+0x1dc1): undefined reference to `snd_'
/qchem/qchem/install/recompile/molpro2006.1/lib/libmolpro.a(mpputil.o): In
function `vector_all_to_some_':
mpputil.F:(.text+0x1e7f): undefined reference to `nodeid_'
mpputil.F:(.text+0x1e89): undefined reference to `nnodes_'
mpputil.F:(.text+0x1f36): undefined reference to `mdtob_'
mpputil.F:(.text+0x1f65): undefined reference to `snd_'
mpputil.F:(.text+0x1f7e): undefined reference to `mdtob_'
mpputil.F:(.text+0x1fb0): undefined reference to `rcv_'
mpputil.F:(.text+0x1ffa): undefined reference to `mdtob_'
mpputil.F:(.text+0x202c): undefined reference to `rcv_'
mpputil.F:(.text+0x2072): undefined reference to `mdtob_'
mpputil.F:(.text+0x20a1): undefined reference to `snd_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libglobal.a(collect.o):
In function `ga_msg_sync_':
collect.c:(.text+0x66c): undefined reference to `SYNCH_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(fence.o):
In function `ARMCI_Barrier':
fence.c:(.text+0x23c): undefined reference to `SYNCH_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_msg_barrier':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:384: undefined
reference to `SYNCH_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_msg_me':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:401: undefined
reference to `NODEID_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_msg_nproc':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:417: undefined
reference to `NNODES_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_timer':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:434: undefined
reference to `tcgtime_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_msg_abort':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:453: undefined
reference to `Error'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_msg_brdcst':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:705: undefined
reference to `BRDCST_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_msg_snd':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:727: undefined
reference to `SND_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_msg_rcv':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:749: undefined
reference to `RCV_'
/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64//libarmci.a(message.o):
In function `armci_msg_rcvany':
/qchem/qchem/install/recompile/ga-4-1b/armci/src/message.c:777: undefined
reference to `RCV_'
/usr/diags/mpich/lib/libmpich.so: undefined reference to `aio_read64'
/usr/diags/mpich/lib/libmpich.so: undefined reference to `aio_error64'
/usr/diags/mpich/lib/libmpich.so: undefined reference to `aio_suspend64'
/usr/diags/mpich/lib/libmpich.so: undefined reference to `aio_write64'
/usr/diags/mpich/lib/libmpich.so: undefined reference to `aio_return64'
make: *** [bin/molprop_2006_1_i8_x86_64_mpi.exe] Error 1
# MOLPRO CONFIG generated at Mon Jul 23 14:14:41 NZST 2007 with version
2006.1
# for host vulcan, architecture unix unix-i8 unix-linux
unix-linux-x86_64
#
# insert additional hosts before vulcan in above line, if desired
#
ARCHITECTURE="unix unix-i8 unix-linux unix-linux-x86_64 mpp"
# Compilers ..
CC="gcc -Difc -DI64 -m64"
FC="/common/intel/fce/9.1.039/bin/ifort -pc 64 -auto -autodouble -Vaxlib
-i8"
F90="/common/intel/fce/9.1.039/bin/ifort -pc 64 -auto -autodouble -Vaxlib
-i8"
# compiler command to be used only when linking molpro.exe .. eg mpxlf on
IBM SP
LINKFC="/common/intel/fce/9.1.039/bin/ifort -pc 64 -auto -autodouble
-Vaxlib -i8"
YACC="bison -b y"
ARFLAGS="-r"
PERL="1"
PERLEXE="/usr/bin/perl"
PERLVERSION="5.008008"
# C defines
# nb SEEK is disk seek speed in seconds
# SPEED is disk transfer rate in 8 bytes/second
# compiler optimisation
COPT="-O3"
FOPT="-w -O3"
# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=200000 -DLARGEFILES -DUSE_MPI=mpich
-DMPIGM_FORMAT=1 -DHAVE_INTTYPES_H -DMA_ALLOC -DMOLPROC_PAR"
CNOPT=" "
COPT1="-O1"
COPT2="-O2"
FNOPT="-O0"
FOPT1="-w -O1"
FOPT2="-w -O2"
FOPT3="-w -O3"
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC=" "
# 64-bit integers
FI64=" "
# profiling
FPROFILE="-p"
CPROFILE="-p"
# additional pre-processor flags
FTCFLAGS="mpp eaf blas4"
# additional directories to be compiled in mpp case
MPPDIR="mpp"
SLATERDIR=""
# additional libraries and link options
LIBS=" "
LINKOPT="-Wl,-rpath,/common/intel/fce/9.1.039/lib -openmp"
# non-standard location of system libraries
LIBDIR="/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64/"
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB="-L/opt/intel/mkl/9.1.021/lib/em64t -lmkl_em64t
-Wl,-rpath,/opt/intel/mkl/9.1.021/lib/em64t"
# LAPACK library
LAPACKLIB=""
# MPP?
MPP="1"
MPPX="0"
SLATER=0
WRAPPER="/usr/diags/mpich/bin/mpirun"
USE_MPI="1"
USE_LAPI=""
USE_MYRINET=""
MPI_LIB="-L/usr/diags/mpich/lib -lmpich"
MPPNAME="mpi"
ARCHNAME="x86_64"
MPITYPE="mpich"
MPIBASEDIR="/usr/diags/mpich"
MYRINET_LIB=""
MYRINET_LINKPARS=""
MPIGM_FORMAT="1"
USE_GIO="0"
USE_GATOOLS="0"
# files in src/ to be compiled without optimization
F77VERSION="Intel(R) Fortran Compiler for Intel(R) EM64T-based
applications, Version 9.1 Build 20060925 Package ID: l_fc_c_9.1.039"
FORTVERSION="ifort9.1"
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
STRIP="strip"
# installation directories
INSTBIN="/common/qchem/molpro2006.1/bin"
INSTLIB="/common/qchem/molpro2006.1/lib"
INSTHTML="/qchem/qchem/public_html/molpro/molpro2006.1"
INSTCGI="/qchem/qchem/public_html/molpro/molpro2006.1"
# makedepend configuration
MAKEDEPEND_OPTIONS=""
MODULE_SUFFIX="mod"
MODULE_FLAG="-I"
# non-default libraries
LIBDIR_mpi=/qchem/qchem/install/recompile/ga-4-1b/lib/LINUX64/
BLASLIB_x86_64="-L/opt/intel/mkl/9.1.021/lib/em64t -lmkl_em64t
-Wl,-rpath,/opt/intel/mkl/9.1.021/lib/em64t"
WRAPPER_mpi=/usr/diags/mpich/bin/mpirun
PARSE=parse-x86_64-unknown-linux-gnu-i8.o.gz
--
Joseph Lane
Department of Chemistry
University of Otago
P.O. Box 56
Dunedin, New Zealand
ph +64 3 479 5378
email : jlane at alkali.otago.ac.nz
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