make nwchem.o stubs.o
make[1]: Entering directory `/afs/cad.njit.edu/u/g/w/gwolosh/ftp/nwchem/nwchem-6.6/src'
ifort -i8 -align -fpp -qopt-report-file=stderr -fimf-arch-consistency=true -finline-limit=250 -O2 -g -fp-model source -I. -I/afs
Intel(R) Advisor can now assist with vectorization and show optimization
report messages with your source code.
See "https://software.intel.com/en-us/intel-advisor-xe" for details.
Report from: Interprocedural optimizations [ipo]
INLINING OPTION VALUES:
-inline-factor: 100
-inline-min-size: 30
-inline-max-size: 250 (user-specified)
-inline-max-total-size: 2000
-inline-max-per-routine: 10000
-inline-max-per-compile: 500000
Begin optimization report for: NWCHEM
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWCHEM) [1] nwchem.F(1,15)
-> (212,12) NWCHEM_BANNER
-> (265,36) NW_PRINT_RESTART_INFO
Report from: Loop nest, Vector & Auto-parallelization optimizations [loop, vec, par]
Non-optimizable loops:
LOOP BEGIN at nwchem.F(275,11)
remark #15521: loop was not vectorized: loop control variable was not identified. Explicitly compute the iteration count before
LOOP END
===============================================================
Begin optimization report for: NWCHEM_BANNER
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWCHEM_BANNER) [2] nwchem.F(370,18)
Report from: Loop nest, Vector & Auto-parallelization optimizations [loop, vec, par]
LOOP BEGIN at nwchem.F(460,10)
remark #15335: loop was not vectorized: vectorization possible but seems inefficient. Use vector always directive or -vec-thres
remark #25436: completely unrolled by 6
LOOP END
LOOP BEGIN at nwchem.F(463,11)
remark #15335: loop was not vectorized: vectorization possible but seems inefficient. Use vector always directive or -vec-thres
remark #25436: completely unrolled by 7
LOOP END
LOOP BEGIN at nwchem.F(465,11)
remark #15335: loop was not vectorized: vectorization possible but seems inefficient. Use vector always directive or -vec-thres
remark #25436: completely unrolled by 6
LOOP END
===============================================================
Begin optimization report for: NW_PRINT_RESTART_INFO
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NW_PRINT_RESTART_INFO) [3] nwchem.F(628,18)
Report from: Loop nest, Vector & Auto-parallelization optimizations [loop, vec, par]
LOOP BEGIN at nwchem.F(651,15)
remark #15301: MATERIALIZED LOOP WAS VECTORIZED
LOOP END
LOOP BEGIN at nwchem.F(651,15)
<Remainder loop for vectorization>
remark #25436: completely unrolled by 13
LOOP END
LOOP BEGIN at nwchem.F(654,15)
<Peeled loop for vectorization>
remark #25436: completely unrolled by 15
LOOP END
LOOP BEGIN at nwchem.F(654,15)
remark #15301: MATERIALIZED LOOP WAS VECTORIZED
LOOP END
LOOP BEGIN at nwchem.F(661,16)
remark #15301: MATERIALIZED LOOP WAS VECTORIZED
LOOP END
LOOP BEGIN at nwchem.F(661,16)
<Remainder loop for vectorization>
remark #25436: completely unrolled by 12
LOOP END
LOOP BEGIN at nwchem.F(663,16)
remark #15301: MATERIALIZED LOOP WAS VECTORIZED
LOOP END
LOOP BEGIN at nwchem.F(663,16)
<Remainder loop for vectorization>
remark #25436: completely unrolled by 10
LOOP END
LOOP BEGIN at nwchem.F(666,13)
remark #15335: loop was not vectorized: vectorization possible but seems inefficient. Use vector always directive or -vec-thres
remark #25436: completely unrolled by 6
LOOP END
LOOP BEGIN at nwchem.F(666,13)
remark #15301: MATERIALIZED LOOP WAS VECTORIZED
LOOP END
LOOP BEGIN at nwchem.F(666,13)
<Remainder loop for vectorization>
remark #25436: completely unrolled by 7
LOOP END
===============================================================
ifort -i8 -align -fpp -qopt-report-file=stderr -fimf-arch-consistency=true
-finline-limit=250 -O2 -g -fp-model source -I.
-I/afs/cad.njit.edu/u/g/w/gwolosh/ftp/nwchem/nwchem-6.6/src/include
-I/afs/cad.njit.edu/u/g/w/gwolosh/ftp/nwchem/nwchem-6.6/src/tools/install/include
-DEXT_INT -DLINUX -DLINUX64 -DIFCV8 -DIFCLINUX -DSCALAPACK -DPARALLEL_DIAG
-DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'"
-DCOMPILATION_DIR="'/afs/cad.njit.edu/u/g/w/gwolosh/ftp/nwchem/nwchem-6.6'"
-DNWCHEM_BRANCH="'6.6'" -c -o stubs.o stubs.F
Intel(R) Advisor can now assist with vectorization and show optimization
report messages with your source code.
See "https://software.intel.com/en-us/intel-advisor-xe" for details.
INLINING OPTION VALUES:
-inline-factor: 100
-inline-min-size: 30
-inline-max-size: 250 (user-specified)
-inline-max-total-size: 2000
-inline-max-per-routine: 10000
-inline-max-per-compile: 500000
Begin optimization report for: MODULE_CENSUS
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MODULE_CENSUS) [1] stubs.F(1,18)
===============================================================
Begin optimization report for: ARGOS
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (ARGOS) [2] stubs.F(14,18)
===============================================================
Begin optimization report for: ARGOS_INPUT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (ARGOS_INPUT) [3] stubs.F(23,18)
===============================================================
Begin optimization report for: CROSSING
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (CROSSING) [4] stubs.F(32,18)
===============================================================
Begin optimization report for: DEBTEST
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (DEBTEST) [5] stubs.F(41,18)
===============================================================
Begin optimization report for: DIA_INPUT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (DIA_INPUT) [6] stubs.F(50,18)
===============================================================
Begin optimization report for: DIANA
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (DIANA) [7] stubs.F(59,18)
===============================================================
Begin optimization report for: GASDEV
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (GASDEV) [8] stubs.F(68,18)
===============================================================
Begin optimization report for: GENINTERFACE
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (GENINTERFACE) [9] stubs.F(77,18)
===============================================================
Begin optimization report for: JANTEST
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (JANTEST) [10] stubs.F(86,18)
===============================================================
Begin optimization report for: JVLTEST
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (JVLTEST) [11] stubs.F(95,18)
===============================================================
Begin optimization report for: JVLTEST2
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (JVLTEST2) [12] stubs.F(104,18)
===============================================================
Begin optimization report for: KGDTEST
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (KGDTEST) [13] stubs.F(113,18)
===============================================================
Begin optimization report for: LEPS_ENERGY
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (LEPS_ENERGY) [14] stubs.F(122,18)
===============================================================
Begin optimization report for: LEPS_GRADIENT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (LEPS_GRADIENT) [15] stubs.F(131,18)
===============================================================
Begin optimization report for: LUCIA
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (LUCIA) [16] stubs.F(140,18)
===============================================================
Begin optimization report for: MC_DATA
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MC_DATA) [17] stubs.F(149,18)
===============================================================
Begin optimization report for: MC_DRIVER
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MC_DRIVER) [18] stubs.F(158,18)
===============================================================
Begin optimization report for: MC_MAIN
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MC_MAIN) [19] stubs.F(176,18)
Begin optimization report for: MD_DATA
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MD_DATA) [20] stubs.F(185,18)
===============================================================
Begin optimization report for: MD_DRIVER
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MD_DRIVER) [21] stubs.F(194,18)
===============================================================
Begin optimization report for: MD_SET
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MD_SET) [22] stubs.F(203,18)
===============================================================
Begin optimization report for: MOINTS_SCREEN
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MOINTS_SCREEN) [23] stubs.F(212,18)
===============================================================
===============================================================
Begin optimization report for: MYMC_INPUT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MYMC_INPUT) [24] stubs.F(221,18)
===============================================================
Begin optimization report for: MYMD_INPUT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MYMD_INPUT) [25] stubs.F(230,18)
===============================================================
Begin optimization report for: NBO_INPUT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NBO_INPUT) [26] stubs.F(239,18)
===============================================================
Begin optimization report for: NWXC_EVAL_DF
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_EVAL_DF) [27] stubs.F(248,18)
===============================================================
Begin optimization report for: NWXC_EVAL_DF2
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_EVAL_DF2) [28] stubs.F(257,18)
===============================================================
Begin optimization report for: NWXC_EVAL_DF3
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_EVAL_DF3) [29] stubs.F(266,18)
===============================================================
Begin optimization report for: NWXC_GET_CAM
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_GET_CAM) [30] stubs.F(275,18)
===============================================================
Begin optimization report for: NWXC_GET_DISP
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_GET_DISP) [31] stubs.F(284,18)
===============================================================
Begin optimization report for: NWXC_GETVALS
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_GETVALS) [32] stubs.F(293,18)
===============================================================
Begin optimization report for: NWXC_GETWGHT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_GETWGHT) [33] stubs.F(302,18)
===============================================================
Begin optimization report for: NWXC_HAS_2ND
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_HAS_2ND) [34] stubs.F(311,18)
===============================================================
Begin optimization report for: NWXC_HAS_CAM
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_HAS_CAM) [35] stubs.F(320,18)
===============================================================
Begin optimization report for: NWXC_HAS_DISP
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_HAS_DISP) [36] stubs.F(329,18)
===============================================================
Begin optimization report for: NWXC_HAS_HFX
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_HAS_HFX) [37] stubs.F(338,18)
===============================================================
Begin optimization report for: NWXC_HAS_MP2C
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_HAS_MP2C) [38] stubs.F(347,18)
===============================================================
Begin optimization report for: NWXC_HAS_XC
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_HAS_XC) [39] stubs.F(356,18)
===============================================================
Begin optimization report for: NWXC_INPUT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_INPUT) [40] stubs.F(374,18)
===============================================================
Begin optimization report for: NWXC_IS_GGA
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_IS_GGA) [41] stubs.F(383,18)
===============================================================
Begin optimization report for: NWXC_IS_LDA
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_IS_LDA) [42] stubs.F(392,18)
===============================================================
Begin optimization report for: NWXC_IS_MGGA
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_IS_MGGA) [43] stubs.F(401,18)
===============================================================
Begin optimization report for: NWXC_IS_ON
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_IS_ON) [44] stubs.F(410,18)
===============================================================
Begin optimization report for: NWXC_PRINT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_PRINT) [45] stubs.F(419,18)
===============================================================
Begin optimization report for: NWXC_PRINT_NWPW
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_PRINT_NWPW) [46] stubs.F(428,18)
===============================================================
Begin optimization report for: NWXC_RESET_RHO_TOLERANCE
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_RESET_RHO_TOLERANCE) [47] stubs.F(437,18)
===============================================================
Begin optimization report for: NWXC_RTDB_DELETE
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_RTDB_DELETE) [48] stubs.F(446,18)
===============================================================
Begin optimization report for: NWXC_RTDB_LOAD
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_RTDB_LOAD) [49] stubs.F(455,18)
===============================================================
Begin optimization report for: NWXC_RTDB_STORE
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_RTDB_STORE) [50] stubs.F(464,18)
===============================================================
Begin optimization report for: NWXC_VDW3_DFTD3
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_VDW3_DFTD3) [51] stubs.F(473,18)
===============================================================
Begin optimization report for: NWXC_WGHT_HFX
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_WGHT_HFX) [52] stubs.F(482,18)
===============================================================
Begin optimization report for: NWXC_WGHT_MP2C
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_WGHT_MP2C) [53] stubs.F(491,18)
===============================================================
Begin optimization report for: RAKTEST
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (RAKTEST) [54] stubs.F(500,18)
===============================================================
Begin optimization report for: RIMP2G
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (RIMP2G) [55] stubs.F(509,18)
===============================================================
Begin optimization report for: RISM_INPUT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (RISM_INPUT) [56] stubs.F(518,18)
===============================================================
Begin optimization report for: RJHTEST
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (RJHTEST) [57] stubs.F(527,18)
===============================================================
Begin optimization report for: SMD_INPUT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (SMD_INPUT) [58] stubs.F(536,18)
===============================================================
Begin optimization report for: TASK_FRAGMENT_ENERGY
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (TASK_FRAGMENT_ENERGY) [59] stubs.F(545,18)
===============================================================
Begin optimization report for: TASK_NBO
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (TASK_NBO) [60] stubs.F(554,18)
===============================================================
Begin optimization report for: TASK_RISM
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (TASK_RISM) [61] stubs.F(563,18)
===============================================================
Begin optimization report for: TASK_SMD
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (TASK_SMD) [62] stubs.F(572,18)
===============================================================
Begin optimization report for: TASK_SMD_DYNAMICS
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (TASK_SMD_DYNAMICS) [63] stubs.F(581,18)
===============================================================
Begin optimization report for: TASK_SMD_ENERGY
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (TASK_SMD_ENERGY) [64] stubs.F(590,18)
===============================================================
Begin optimization report for: TASK_SMD_FRAGMENT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (TASK_SMD_FRAGMENT) [65] stubs.F(599,18)
===============================================================
Begin optimization report for: UCCSDT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (UCCSDT) [66] stubs.F(608,18)
===============================================================
Begin optimization report for: UCCSDTEST
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (UCCSDTEST) [67] stubs.F(617,18)
===============================================================
Begin optimization report for: URAND
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (URAND) [68] stubs.F(626,18)
===============================================================
Begin optimization report for: NWXC_INIT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (NWXC_INIT) [69] stubs.F(365,18)
===============================================================
Begin optimization report for: MC_INIT
Report from: Interprocedural optimizations [ipo]
INLINE REPORT: (MC_INIT) [70] stubs.F(167,18)
===============================================================
make[1]: Leaving directory `/afs/cad.njit.edu/u/g/w/gwolosh/ftp/nwchem/nwchem-6.6/src'
ifort -i8 -align -fpp -qopt-report-file=stderr -fimf-arch-consistency=true -finline-limit=250 -O2 -g -fp-model source -Wl,--expor
/afs/cad.njit.edu/linux/anaconda-2.1.0/anaconda/lib/python2.7/config/libpython2.7.a(posixmodule.o): In function `posix_tmpnam':
src-dir-------/Python-2.7.10/./Modules/posixmodule.c:7631: warning: the use of `tmpnam_r' is dangerous, better use `mkstemp
/afs/cad.njit.edu/linux/anaconda-2.1.0/anaconda/lib/python2.7/config/libpython2.7.a(posixmodule.o): In function `posix_tempnam':
src-dir-------/Python-2.7.10/./Modules/posixmodule.c:7578: warning: the use of `tempnam' is dangerous, better use `mkstemp'
/afs/cad.njit.edu/linux/anaconda-2.1.0/anaconda/lib/python2.7/config/libpython2.7.a(posixmodule.o): In function `posix_forkpty':
posixmodule.c:(.text+0x2a8f): undefined reference to `forkpty'
/afs/cad.njit.edu/linux/anaconda-2.1.0/anaconda/lib/python2.7/config/libpython2.7.a(posixmodule.o): In function `posix_openpty':
posixmodule.c:(.text+0x4776): undefined reference to `openpty'
make: *** [link] Error 1
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