[molpro-user] link error IBM AIX 5.2 / MPI

[Nick Wilson]

Dear Jean-Pierre,

If you edit the LINKFC line in CONFIG from
LINKFC="/usr/bin/xlf_r ..."
to
LINKFC="mpxlf_r ..."
then it should link.

Best wishes,
Nick Wilson

Jean-Pierre Dognon wrote:
> Hi,
> 
> I try to build molpro for parallel execution with mpich 1.2.6 with the 
> configure option -i8 -mpp (IBM AIX 5.2 64 bit). I have the following 
> error on link (no problem with the non parallel version):
> 
> linking /home/titan1/molpro/mpi/molpro2002.6/bin/molprop_2002_6_i8_mpi.exe
> link failed
> /usr/bin/xlf_r -I. -I/home/titan1/molpro/mpi/molpro2002.6/src -NA16384 
> -NQ20000 -
> qzerosize -qcharlen=1024 -qextname -qmaxmem=-1 -qnolm -qarch=auto -q64 
> -qwarn64 -
> qintsize=8 -Wl,-bbigtoc -O3 -o 
> /home/titan1/molpro/mpi/molpro2002.6/bin/molprop_2
> 002_6_i8_mpi.exe molver.o molpro.o 
> -L/home/titan1/molpro/mpi/molpro2002.6/lib -lm
> olpro -L/usr/local/ga/g/lib/IBM64 -lglobal -ltcgmsg-mpi -lma -lpario 
> -larmci -lgk
> s0 -lessl_r -L/usr/local/ga/g/lib/IBM64 -lglobal -ltcgmsg-mpi -lma 
> -lpario -larmc
> i
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Barrier
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Wtime
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Abort
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Comm_size
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Comm_rank
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Recv
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Get_count
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Send
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Bcast
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Finalize
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Initialized
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Init
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Errhandler_set
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Reduce
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Error_string
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Wait
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Iprobe
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Irecv
> ld: 0711-317 ERROR: Undefined symbol: .MPI_Isend
> ld: 0711-345 Use the -bloadmap or -bnoquiet option to obtain more 
> information.
> gmake: *** [bin/molprop_2002_6_i8_mpi.exe] Error 1
> 
> have you any ideas?
> 
> thank you,
> 
> Best regards,
> 
> Jean-Pierre
> ---------------------------------------------------------------------
> Jean-Pierre Dognon
> Theoretical Chemistry Group
> CEA/SACLAY
> FRANCE
> mailto: dognon at drecam.cea.fr
> ---------------------------------------------------------------------