From owner-nwchem-users@emsl.pnl.gov Thu Oct 18 17:40:10 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id l9J0e9iB003253 for ; Thu, 18 Oct 2007 17:40:10 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id l9J0e9DG003252 for nwchem-users-outgoing-0915; Thu, 18 Oct 2007 17:40:09 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: No_SBRS X-Ironport-SBRS: None X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: Ah4FAEeZF0eWpf+R/2dsb2JhbACBW4EYjUA X-IronPort-AV: E=Sophos;i="4.21,297,1188802800"; d="scan'208";a="52715516" Date: Thu, 18 Oct 2007 21:39:19 -0300 From: Santanasidney To: "NWChem Users" Subject: [NWCHEM] NWChem 5.0 MPI linking error in the D3dB-mpi.F file Message-ID: X-Mailer: IceWarp Web Mail 5.5.0 X-Originating-IP: 150.165.145.99 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="--70150028F41BCCC7797A89AFDBD2DF90" Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk ----70150028F41BCCC7797A89AFDBD2DF90 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 8bit Dear NWChem Users, Please could you helpd me ? I am trying to build the NWChem 5.0 binaries in a Intel Core 2 Duo computer with Debian GNU/Linux 4.0, 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 ----- ----70150028F41BCCC7797A89AFDBD2DF90 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: 8bit Dear NWChem Users,

Please could you helpd me ?

I am trying to build the NWChem 5.0 binaries in a

Intel Core 2 Duo computer with Debian GNU/Linux 4.0,

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 reference to `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): undefined reference 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
-----


----70150028F41BCCC7797A89AFDBD2DF90--