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Date: Fri, 19 Oct 2007 15:07:33 -0300
From: Santanasidney <santanasidney@quimica.ufpb.br>
To: "NWChem Users" <nwchem-users@emsl.pnl.gov>
Subject: [NWCHEM] [Correct Question] NWChem 5.0 MPI linking error in the D3dB-mpi.F file
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Dear NWChem Users and Dunyou Wang,
Please so sorry!
I forget to put the enviromental variables
in my last e-mail.
They are:
export USE_MPI=y
export USE_MPIF=y
export LIBMPI="-llamf77mpi -lmpi -llam -lpthread"
export MPI_LIB=/usr/local/lam/lib
export MPI_INCLUDE=/usr/local/lam/include
export LARGE_FILES=TRUE
export TCGRSH=/usr/bin/ssh
export NWCHEM_TOP=/programs/nwchem-5.0
export NWCHEM_TARGET=LINUX
export NWCHEM_MODULES=all
If set USE_MPIF=y, can it does generate this error ?
But, If I don't set USE_MPIF=y, will work the NWPW module
in a serial mode?
Best Regards,
Sidney R. Santana.
Please see below.
-----------------
Dear NWChem Users,
Please could you help me ?
I am trying to build the NWChem 5.0 binaries in a
Intel Core 2 Duo computer with Debian GNU/Linux4.0,
Inter Compilers (ifort, icc), and Global Arrays 4.0.7.
The MPI options are enabled. I am using LAM MPI 7.0.6.
The compiling step is running fine !!!
But, the linking process stop pointing an error "undefine reference" to the D3dB-mpi.F file,
located in $NWCHEM_TOP/src/nwpw/nwpwlib/D3dB directory. Please see bellow.
Thanks for any help !
Best Regards,
Sidney R. Santana
----
---Linking Error Message---
ifort-align -O3 -tpp7 -mp1 -w -g -vec_report3 -g -Wl,--export-dynamic-L/programs/nwchem-5.0/lib/LINUX-L/programs/nwchem-5.0/src/tools/lib/LINUX -o/programs/nwchem-5.0/bin/LINUX/nwchem nwchem.o stubs.o -lnwctask -lccsd-lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -ldftgrad-lnwdft -lgradients -lcphf -lesp -lddscf -lguess -lhessian -lvib-lnwcutil -lrimp2 -lproperty -lnwints -lprepar -lnwmd -lnwpw -lpaw-lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot-ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltddft -ltce -lbq -lcons-lperfm -lneb -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm -lcons-lbq -lnwcutil -llapack -lblas -llapack -lblas -larmci-L/usr/local/lam/lib -ltcgmsg-mpi -llamf77mpi -lmpi -llam -lpthread-lsvml
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_transpose_jk_':
D3dB-mpi.F:(.text+0x254): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x2f5): undefined reference to `mpi_send_'
D3dB-mpi.F:(.text+0x32e): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_timereverse_':
D3dB-mpi.F:(.text+0x5f1): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x686): undefined reference to`mpi_send_'
D3dB-mpi.F:(.text+0x6ba): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_transpose_ijk_':
D3dB-mpi.F:(.text+0xa15): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0xac4): undefined reference to `mpi_send_'
D3dB-mpi.F:(.text+0xb00): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_t_transpose_ijk_':
D3dB-mpi.F:(.text+0xed3): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0xf8b): undefined reference to `mpi_send_'
D3dB-mpi.F:(.text+0xfcb): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose1_jk_':
D3dB-mpi.F:(.text+0x133a): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x13d9): undefined reference to `mpi_send_'
D3dB-mpi.F:(.text+0x1416): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose2_jk_':
D3dB-mpi.F:(.text+0x1696): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x1735): undefined reference to `mpi_send_'
D3dB-mpi.F:(.text+0x1772): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose_ijk_':
D3dB-mpi.F:(.text+0x1a1f): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x1ac4): undefined reference to `mpi_send_'
D3dB-mpi.F:(.text+0x1afd): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `balance_c_balance_start_':
D3dB-mpi.F:(.text+0x1c96): undefined reference to `mpi_isend_'
D3dB-mpi.F:(.text+0x1da8): undefined reference to `mpi_irecv_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `balance_c_balance_end_':
D3dB-mpi.F:(.text+0x1e57): undefined referenceto `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `balance_c_unbalance_start_':
D3dB-mpi.F:(.text+0x1f8a): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x209c): undefined reference to `mpi_isend_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `balance_c_unbalance_end_':
D3dB-mpi.F:(.text+0x214b): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose1_jk_start_':
D3dB-mpi.F:(.text+0x22f6): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x23ba): undefined reference to `mpi_isend_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose1_jk_end_':
D3dB-mpi.F:(.text+0x2460): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose2_jk_start_':
D3dB-mpi.F:(.text+0x2678): undefinedreference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x273c): undefined reference to `mpi_isend_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose2_jk_end_':
D3dB-mpi.F:(.text+0x27e2): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose_ijk_start_':
D3dB-mpi.F:(.text+0x2a1b): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x2aed): undefined reference to `mpi_isend_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose_ijk_end_':
D3dB-mpi.F:(.text+0x2b9b): undefined reference to `mpi_waitall_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_timereverse_start_':
D3dB-mpi.F:(.text+0x2e69): undefined reference to `mpi_irecv_'
D3dB-mpi.F:(.text+0x2f2d): undefined reference to `mpi_isend_'
/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function`d3db_c_timereverse_end_':
D3dB-mpi.F:(.text+0x2fd7): undefined reference to `mpi_waitall_'
make: *** [all] Error 1
Command exited with non-zero status 2
943.19user 179.62system 19:35.64elapsed 95%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+0outputs (411major+48303738minor)pagefaults 0swaps
-----
----C0F4E14AC69A4F127C5CB070DA22D8D5
Content-Type: text/html; charset="iso-8859-1"
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Dear NWChem Users and Dunyou Wang,<br /><br />Please so sorry!<br /><br />I forget to put the enviromental variables <br /><br />in my last e-mail.<br /><br />They are:<br /><br />export USE_MPI=y<br />export USE_MPIF=y<br />export LIBMPI=&quot;-llamf77mpi -lmpi -llam -lpthread&quot;<br />export MPI_LIB=/usr/local/lam/lib<br />export MPI_INCLUDE=/usr/local/lam/include<br />export LARGE_FILES=TRUE<br />export TCGRSH=/usr/bin/ssh<br />export NWCHEM_TOP=/programs/nwchem-5.0<br />export NWCHEM_TARGET=LINUX<br />export NWCHEM_MODULES=all<br /><br />If set USE_MPIF=y, can it does generate this error ?<br /><br />But, If I don't set USE_MPIF=y, will work the NWPW module<br /><br />in a serial mode?<br /><br />Best Regards,<br /><br />Sidney R. Santana.<br /><br />Please see below.<br />-----------------<br /><br />Dear NWChem Users,<br /><br />Please could you help me ?<br /><br />I am trying to build the NWChem 5.0 binaries in a <br /><br />Intel Core 2 Duo computer with Debian GNU/Linux
4.0, <br /><br />Inter Compilers (ifort, icc), and Global Arrays 4.0.7. <br /><br />The MPI options are enabled. I am using LAM MPI 7.0.6.<br /><br />The compiling step is running fine !!!<br /><br />But, the linking process stop pointing an error &quot;undefine reference&quot; to the D3dB-mpi.F file, <br /><br />located in $NWCHEM_TOP/src/nwpw/nwpwlib/D3dB directory. Please see bellow.<br /><br />Thanks for any help !<br /><br />Best Regards,<br /><br />Sidney R. Santana<br />----<br /><br />---Linking Error Message---<br />ifort
-align -O3 -tpp7 -mp1 -w -g -vec_report3 -g -Wl,--export-dynamic
-L/programs/nwchem-5.0/lib/LINUX
-L/programs/nwchem-5.0/src/tools/lib/LINUX -o
/programs/nwchem-5.0/bin/LINUX/nwchem nwchem.o stubs.o -lnwctask -lccsd
-lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -ldftgrad
-lnwdft -lgradients -lcphf -lesp -lddscf -lguess -lhessian -lvib
-lnwcutil -lrimp2 -lproperty -lnwints -lprepar -lnwmd -lnwpw -lpaw
-lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot
-ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltddft -ltce -lbq -lcons
-lperfm -lneb -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm -lcons
-lbq -lnwcutil -llapack -lblas -llapack -lblas -larmci
-L/usr/local/lam/lib -ltcgmsg-mpi -llamf77mpi -lmpi -llam -lpthread
-lsvml<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_transpose_jk_':<br />D3dB-mpi.F:(.text+0x254): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x2f5): undefined reference to `mpi_send_'<br />D3dB-mpi.F:(.text+0x32e): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_timereverse_':<br />D3dB-mpi.F:(.text+0x5f1): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x686): undefined reference to
`mpi_send_'<br />D3dB-mpi.F:(.text+0x6ba): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_transpose_ijk_':<br />D3dB-mpi.F:(.text+0xa15): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0xac4): undefined reference to `mpi_send_'<br />D3dB-mpi.F:(.text+0xb00): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_t_transpose_ijk_':<br />D3dB-mpi.F:(.text+0xed3): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0xf8b): undefined reference to `mpi_send_'<br />D3dB-mpi.F:(.text+0xfcb): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose1_jk_':<br />D3dB-mpi.F:(.text+0x133a): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x13d9): undefined reference to `mpi_send_'<br />D3dB-mpi.F:(.text+0x1416): undefined reference to `mpi_waitall_'<br
/>/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose2_jk_':<br />D3dB-mpi.F:(.text+0x1696): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x1735): undefined reference to `mpi_send_'<br />D3dB-mpi.F:(.text+0x1772): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose_ijk_':<br />D3dB-mpi.F:(.text+0x1a1f): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x1ac4): undefined reference to `mpi_send_'<br />D3dB-mpi.F:(.text+0x1afd): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `balance_c_balance_start_':<br />D3dB-mpi.F:(.text+0x1c96): undefined reference to `mpi_isend_'<br />D3dB-mpi.F:(.text+0x1da8): undefined reference to `mpi_irecv_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `balance_c_balance_end_':<br />D3dB-mpi.F:(.text+0x1e57): undefined reference
to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `balance_c_unbalance_start_':<br />D3dB-mpi.F:(.text+0x1f8a): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x209c): undefined reference to `mpi_isend_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `balance_c_unbalance_end_':<br />D3dB-mpi.F:(.text+0x214b): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose1_jk_start_':<br />D3dB-mpi.F:(.text+0x22f6): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x23ba): undefined reference to `mpi_isend_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose1_jk_end_':<br />D3dB-mpi.F:(.text+0x2460): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose2_jk_start_':<br />D3dB-mpi.F:(.text+0x2678): undefined
reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x273c): undefined reference to `mpi_isend_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose2_jk_end_':<br />D3dB-mpi.F:(.text+0x27e2): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose_ijk_start_':<br />D3dB-mpi.F:(.text+0x2a1b): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x2aed): undefined reference to `mpi_isend_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_ptranspose_ijk_end_':<br />D3dB-mpi.F:(.text+0x2b9b): undefined reference to `mpi_waitall_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function `d3db_c_timereverse_start_':<br />D3dB-mpi.F:(.text+0x2e69): undefined reference to `mpi_irecv_'<br />D3dB-mpi.F:(.text+0x2f2d): undefined reference to `mpi_isend_'<br />/programs/nwchem-5.0/lib/LINUX/libnwpwlib.a(D3dB-mpi.o): In function
`d3db_c_timereverse_end_':<br />D3dB-mpi.F:(.text+0x2fd7): undefined reference to `mpi_waitall_'<br />make: *** [all] Error 1<br />Command exited with non-zero status 2<br />943.19user 179.62system 19:35.64elapsed 95%CPU (0avgtext+0avgdata 0maxresident)k<br />0inputs+0outputs (411major+48303738minor)pagefaults 0swaps<br />-----<br /><br />
----C0F4E14AC69A4F127C5CB070DA22D8D5--