NWChem 6.6 for BlueGene/Q

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1) I don't seem to have a build.config.log, do you mean build/config.log? I have that one. Here's the first 25 lines:
 This file contains any messages produced by compilers while
 running configure, to aid debugging if configure makes a mistake.
 
 It was created by Global Arrays (GA) configure 5.4, which was
 generated by GNU Autoconf 2.69.  Invocation command line was
 
   $ ../ga-5-4/configure --prefix=/gpfs/u/scratch/QSFC/QSFCbcjm/nwchem-6.6/src/tools/install --with-tcgmsg --with-mpi=-I/bgsys/drivers/ppcfloor/comm/xl/include -L/bgsys/drivers/V1R2M4/ppc64/comm/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/lib64 -L/bgsys/drivers/V1R2M4/ppc64/comm/lib -L/bgsys/drivers/V1R2M4/ppc64/spi/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/sys/lib -L/bgsys/drivers/V1R2M4/ppc64/spi/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/sys/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/lib64 -L/bgsys/drivers/V1R2M4/ppc64/comm/lib -L/bgsys/drivers/V1R2M4/ppc64/spi/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/lib --enable-peigs --enable-underscoring --disable-mpi-tests --without-scalapack --with-lapack=-L/bgsys/ibm_essl/prod/opt/ibmmath/lib64 -lesslbg -Wl,-zmuldefs -L/gpfs/u/barn/QSFC/shared/blis-07-22-2016/lib -llapack -L/bgsys/ibm_essl/prod/opt/ibmmath/lib64 -lesslbg -Wl,-zmuldefs --with-blas4=-L/bgsys/ibm_essl/prod/opt/ibmmath/lib64 -lesslbg -Wl,-zmuldefs --with-mpi-ts CC=mpixlc_r CXX=/opt/ibmcmp/vacpp/bg/12.1/bin/bgxlc++ F77=mpixlf77_r ARMCI_DEFAULT_SHMMAX_UBOUND=131072 CPP=powerpc64-bgq-linux-cpp --enable-i4
 
 ## --------- ##
 ## Platform. ##
 ## --------- ##
 
 hostname = q.ccni.rpi.edu
 uname -m = ppc64
 uname -r = 2.6.32-642.3.1.el6.ppc64
 uname -s = Linux
 uname -v = #1 SMP Sun Jun 26 18:14:05 EDT 2016
 
 /usr/bin/uname -p = unknown
 /bin/uname -X     = unknown
 
 /bin/arch              = ppc64
 /usr/bin/arch -k       = unknown
 /usr/convex/getsysinfo = unknown
 /usr/bin/hostinfo      = unknown

2) Output of make link:
 make nwchem.o stubs.o
 make[1]: Entering directory `/gpfs/u/scratch/QSFC/QSFCbcjm/nwchem-6.6/src'
 Converting nwchem.F -> nwchem.f
 mpixlf77_r -c -qintsize=8  -g -qEXTNAME -qxlf77=leadzero -qthreaded -qnosave  -g -qstrict -O2  nwchem.f
 ** nwchem   === End of Compilation 1 ===
 ** nwchem_banner   === End of Compilation 2 ===
 ** nw_print_restart_info   === End of Compilation 3 ===
 1501-510  Compilation successful for file nwchem.f.
 Converting stubs.F -> stubs.f
 mpixlf77_r -c -qintsize=8  -g -qEXTNAME -qxlf77=leadzero -qthreaded -qnosave  -g -qstrict -O2  stubs.f
 ** module_census   === End of Compilation 1 ===
 ** ana_input   === End of Compilation 2 ===
 ** analyz   === End of Compilation 3 ===
 ** argos   === End of Compilation 4 ===
 ** argos_input   === End of Compilation 5 ===
 ** band_energy   === End of Compilation 6 ===
 ** band_gradient   === End of Compilation 7 ===
 ** cafe   === End of Compilation 8 ===
 ** ccca_input   === End of Compilation 9 ===
 ** crossing   === End of Compilation 10 ===
 ** dangchang_input   === End of Compilation 11 ===
 ** dc_energy   === End of Compilation 12 ===
 ** debtest   === End of Compilation 13 ===
 ** dia_input   === End of Compilation 14 ===
 ** diana   === End of Compilation 15 ===
 ** dntmc_input   === End of Compilation 16 ===
 ** drdy_input   === End of Compilation 17 ===
 ** fft   === End of Compilation 18 ===
 ** gasdev   === End of Compilation 19 ===
 ** geninterface   === End of Compilation 20 ===
 ** jantest   === End of Compilation 21 ===
 ** jvltest   === End of Compilation 22 ===
 ** jvltest2   === End of Compilation 23 ===
 ** kgdtest   === End of Compilation 24 ===
 ** leps_energy   === End of Compilation 25 ===
 ** leps_gradient   === End of Compilation 26 ===
 ** lucia   === End of Compilation 27 ===
 ** mc_data   === End of Compilation 28 ===
 ** mc_driver   === End of Compilation 29 ===
 ** mc_init   === End of Compilation 30 ===
 ** mc_main   === End of Compilation 31 ===
 ** md_data   === End of Compilation 32 ===
 ** md_driver   === End of Compilation 33 ===
 ** md_input   === End of Compilation 34 ===
 ** md_set   === End of Compilation 35 ===
 ** mm_add_egrad   === End of Compilation 36 ===
 ** mm_add_energy   === End of Compilation 37 ===
 ** mm_input   === End of Compilation 38 ===
 ** mmi_end   === End of Compilation 39 ===
 ** mmi_init   === End of Compilation 40 ===
 ** moints_screen   === End of Compilation 41 ===
 ** mymc_input   === End of Compilation 42 ===
 ** mymd_input   === End of Compilation 43 ===
 ** nbo_input   === End of Compilation 44 ===
 ** nwmd   === End of Compilation 45 ===
 ** nwpw   === End of Compilation 46 ===
 ** nwpw_input   === End of Compilation 47 ===
 ** nwxc_eval_df   === End of Compilation 48 ===
 ** nwxc_eval_df2   === End of Compilation 49 ===
 ** nwxc_eval_df3   === End of Compilation 50 ===
 ** nwxc_get_cam   === End of Compilation 51 ===
 ** nwxc_get_disp   === End of Compilation 52 ===
 ** nwxc_getvals   === End of Compilation 53 ===
 ** nwxc_getwght   === End of Compilation 54 ===
 ** nwxc_has_2nd   === End of Compilation 55 ===
 ** nwxc_has_cam   === End of Compilation 56 ===
 ** nwxc_has_disp   === End of Compilation 57 ===
 ** nwxc_has_hfx   === End of Compilation 58 ===
 ** nwxc_has_mp2c   === End of Compilation 59 ===
 ** nwxc_has_xc   === End of Compilation 60 ===
 ** nwxc_init   === End of Compilation 61 ===
 ** nwxc_input   === End of Compilation 62 ===
 ** nwxc_is_gga   === End of Compilation 63 ===
 ** nwxc_is_lda   === End of Compilation 64 ===
 ** nwxc_is_mgga   === End of Compilation 65 ===
 ** nwxc_is_on   === End of Compilation 66 ===
 ** nwxc_print   === End of Compilation 67 ===
 ** nwxc_print_nwpw   === End of Compilation 68 ===
 ** nwxc_reset_rho_tolerance   === End of Compilation 69 ===
 ** nwxc_rtdb_delete   === End of Compilation 70 ===
 ** nwxc_rtdb_load   === End of Compilation 71 ===
 ** nwxc_rtdb_store   === End of Compilation 72 ===
 ** nwxc_vdw3_dftd3   === End of Compilation 73 ===
 ** nwxc_wght_hfx   === End of Compilation 74 ===
 ** nwxc_wght_mp2c   === End of Compilation 75 ===
 ** ofpw_energy   === End of Compilation 76 ===
 ** paw_energy   === End of Compilation 77 ===
 ** paw_gradient   === End of Compilation 78 ===
 ** perfm   === End of Compilation 79 ===
 ** pre_input   === End of Compilation 80 ===
 ** prepar   === End of Compilation 81 ===
 ** pspw_bq_gradient   === End of Compilation 82 ===
 ** pspw_energy   === End of Compilation 83 ===
 ** pspw_gradient   === End of Compilation 84 ===
 ** pspw_input   === End of Compilation 85 ===
 ** python_input   === End of Compilation 86 ===
 ** qhop   === End of Compilation 87 ===
 ** qmd_driver   === End of Compilation 88 ===
 ** qmd_forces   === End of Compilation 89 ===
 ** qmd_input   === End of Compilation 90 ===
 ** qmd_main   === End of Compilation 91 ===
 ** qmd_setup   === End of Compilation 92 ===
 ** qmd_start   === End of Compilation 93 ===
 ** qmd_wrttrj   === End of Compilation 94 ===
 ** qmmm_bq_forces   === End of Compilation 95 ===
 ** qmmm_end   === End of Compilation 96 ===
 ** qmmm_forces   === End of Compilation 97 ===
 ** qmmm_init   === End of Compilation 98 ===
 ** qmmm_input   === End of Compilation 99 ===
 ** qmmm_print_energy1   === End of Compilation 100 ===
 ** raktest   === End of Compilation 101 ===
 ** rimp2g   === End of Compilation 102 ===
 ** rism_input   === End of Compilation 103 ===
 ** rjhtest   === End of Compilation 104 ===
 ** smd_input   === End of Compilation 105 ===
 ** space   === End of Compilation 106 ===
 ** task_band   === End of Compilation 107 ===
 ** task_ccca   === End of Compilation 108 ===
 ** task_ccca_energy   === End of Compilation 109 ===
 ** task_dntmc   === End of Compilation 110 ===
 ** task_drdy   === End of Compilation 111 ===
 ** task_fragment_energy   === End of Compilation 112 ===
 ** task_nbo   === End of Compilation 113 ===
 ** task_ofpw   === End of Compilation 114 ===
 ** task_paw   === End of Compilation 115 ===
 ** task_pspw   === End of Compilation 116 ===
 ** task_python   === End of Compilation 117 ===
 ** task_qmd   === End of Compilation 118 ===
 ** task_qmmm_abc   === End of Compilation 119 ===
 ** task_qmmm_dynamics   === End of Compilation 120 ===
 ** task_qmmm_energy   === End of Compilation 121 ===
 ** task_qmmm_esp   === End of Compilation 122 ===
 ** task_qmmm_fep   === End of Compilation 123 ===
 ** task_qmmm_gradient   === End of Compilation 124 ===
 ** task_qmmm_optimize   === End of Compilation 125 ===
 ** task_qmmm_pes   === End of Compilation 126 ===
 ** task_qmmm_thermo   === End of Compilation 127 ===
 ** task_rism   === End of Compilation 128 ===
 ** task_smd   === End of Compilation 129 ===
 ** task_smd_dynamics   === End of Compilation 130 ===
 ** task_smd_energy   === End of Compilation 131 ===
 ** task_smd_fragment   === End of Compilation 132 ===
 ** uccsdt   === End of Compilation 133 ===
 ** uccsdtest   === End of Compilation 134 ===
 ** urand   === End of Compilation 135 ===
 1501-510  Compilation successful for file stubs.f.
 make[1]: Leaving directory `/gpfs/u/scratch/QSFC/QSFCbcjm/nwchem-6.6/src'
 mpixlf77_r -qintsize=8  -g -qEXTNAME -qxlf77=leadzero -qthreaded -qnosave  -g -qstrict -O2  -Wl,--relax -L/gpfs/u/scratch/QSFC/QSFCbcjm/nwchem-6.6/lib/BGQ -L/gpfs/u/scratch/QSFC/QSFCbcjm/nwchem-6.6/src/tools/install/lib   -o /gpfs/u/scratch/QSFC/QSFCbcjm/nwchem-6.6/bin/BGQ/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -ldplot -lvscf -letrans -ltce -lbq -lcons -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -lnwclapack -L/bgsys/ibm_essl/prod/opt/ibmmath/lib64 -lesslbg -Wl,-zmuldefs  -L/gpfs/u/barn/QSFC/shared/blis-07-22-2016/lib -llapack  -L/bgsys/ibm_essl/prod/opt/ibmmath/lib64 -lesslbg -Wl,-zmuldefs   -lnwcblas   -l64to32 -L/bgsys/ibm_essl/prod/opt/ibmmath/lib64 -lesslbg -Wl,-zmuldefs  -L/gpfs/u/barn/QSFC/shared/blis-07-22-2016/lib -llapack  -L/bgsys/ibm_essl/prod/opt/ibmmath/lib64 -lesslbg -Wl,-zmuldefs     -L/bgsys/drivers/V1R2M4/ppc64/comm/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/lib64 -L/bgsys/drivers/V1R2M4/ppc64/comm/lib -L/bgsys/drivers/V1R2M4/ppc64/spi/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/sys/lib -L/bgsys/drivers/V1R2M4/ppc64/spi/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/sys/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/lib64 -L/bgsys/drivers/V1R2M4/ppc64/comm/lib -L/bgsys/drivers/V1R2M4/ppc64/spi/lib -L/bgsys/drivers/V1R2M4/ppc64/comm/lib        -lpthread
 link is built


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