FWIW, I see that "ifort" is being used to build Amber (instead of
using mpif77 or mpif90), and I don't see any reference to the MPI
libraries in the final link line to create the "sander.MPI"
executable, which is probably why it says it can't find all those
symbols.
We strongly recommend that all applications use the Open MPI wrapper
compilers to build themselves; they'll then automatically get all the
proper header files and libraries.
Unfortunately, being unfamiliar with Amber, I can't really help much
further. :-(
On Jul 24, 2007, at 3:17 PM, Francesco Pietra wrote:
> Hi Jeff:
> The application mailing list was the first I tried. So far the
> difficulty to
> let amber know about openmpi remains, however. Therefore, with the
> serial
> installation I am at a fraction of the possibilities of my machine.
>
> I wonder whether by providing here the way openmpi was compiled and
> (attachments) the config.h used to try to compile the application and
> errors.log, forced to be generated during the compilation, may
> reveal a
> solution to openmpi experts, ie how to set ./config for the
> application. It
> seems to me that the application does not find the mpi libraries.
>
> openmpi-1.2.3 was compiled on Debian Linux amd64 etch with
>
> ./configure CC=/opt/intel/cce/9.1.042/bin/icc
> CXX=/opt/intel/cce/9.1.042/bin/icpc F77=/opt/intel/fce/9.1.036/bin/
> ifort
> FC=/opt/intel/fce/9.1.036/bin/ifort --with-libnuma=/usr/lib
>
> ompi_info |grep libnuma
>
> ompi_info |grep maffinity
>
>
> Amber9 parallel compilation was attempted on the same machine by
> first letting
> it know about openmpi, as indicated in their manual:
>
> export MPI_HOME=/usr/local/openmpi-1.2.3
>
> Then:
>
> make clean
>
> ./configure -openmpi ifort_x86_64
>
> (must say that I did not find on the configure help a flag for the
> intel C
> compiler, though probably this is not the issue; the application is
> set to use
> gcc)
>
> make parallel >& errors.log
>
>
> Both errors.log and config.h (renamed config.hREN because .h does
> not result in
> a true attachment with gnome)
>
>
> All that under the hypothesis that a possible solution may be seen
> on the fly;
> I can't expect that the problem is studied on the openmpi site.
>
> Thanks
>
> francesco pietra
>
>
>
>
>
> --- Jeff Squyres <jsquyres_at_[hidden]> wrote:
>
>> On Jul 23, 2007, at 5:11 PM, Bert Wesarg wrote:
>>
>>>> I'm not sure what these command line switches do...? "-openmpi" is
>>>> not a switch that our configure supports.
>>> No, he tries to configure the application "Amber9", so this is
>>> not the
>>> Open MPI configure.
>>
>> Ah, I mis-read this completely.
>>
>> I'm unfortunately totally unfamiliar with Amber9 -- do they have a
>> support mailing list where you can ask this question?
>>
>> --
>> Jeff Squyres
>> Cisco Systems
>>
>> _______________________________________________
>> users mailing list
>> users_at_[hidden]
>> http://www.open-mpi.org/mailman/listinfo.cgi/users
>>
>
>
>
>
>
>
> ______________________________________________________________________
> ______________
> Get the Yahoo! toolbar and be alerted to new email wherever you're
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> http://new.toolbar.yahoo.com/toolbar/features/mail/index.php
> <config.hREN>
> Starting installation of Amber9 (parallel) at Tue Jul 24 08:05:36
> CEST 2007.
> cd sander; make parallel
> make[1]: Entering directory `/usr/local/amber9/src/sander'
> ./checkparconf
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_vars.f > _evb_vars.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_vars.o _evb_vars.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_input.f > _evb_input.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_input.o _evb_input.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_init.f > _evb_init.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_init.o _evb_init.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_alloc.f > _evb_alloc.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_alloc.o _evb_alloc.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_dealloc.f > _evb_dealloc.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_dealloc.o _evb_dealloc.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> check_input.f > _check_input.f
> ifort -c -w95 -mp1 -O0 -FR -o check_input.o _check_input.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_io.f > _evb_io.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_io.o _evb_io.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_keywrd.f > _evb_keywrd.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_keywrd.o _evb_keywrd.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> exchange_CM.f > _exchange_CM.f
> ifort -c -w95 -mp1 -O0 -FR -o exchange_CM.o _exchange_CM.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_mcp.f > _evb_mcp.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o evb_mcp.o _evb_mcp.f
> _evb_mcp.f(146) : (col. 6) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_force.f > _evb_force.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o evb_force.o
> _evb_force.f
> _evb_force.f(257) : (col. 3) remark: LOOP WAS VECTORIZED.
> _evb_force.f(268) : (col. 3) remark: LOOP WAS VECTORIZED.
> _evb_force.f(269) : (col. 3) remark: LOOP WAS VECTORIZED.
> _evb_force.f(273) : (col. 6) remark: LOOP WAS VECTORIZED.
> _evb_force.f(273) : (col. 6) remark: LOOP WAS VECTORIZED.
> _evb_force.f(282) : (col. 6) remark: LOOP WAS VECTORIZED.
> _evb_force.f(282) : (col. 6) remark: LOOP WAS VECTORIZED.
> _evb_force.f(289) : (col. 3) remark: LOOP WAS VECTORIZED.
> _evb_force.f(362) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_force.f(369) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_force.f(369) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_force.f(325) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_force.f(330) : (col. 9) remark: LOOP WAS VECTORIZED.
> _evb_force.f(335) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_force.f(335) : (col. 12) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> diabatic.f > _diabatic.f
> ifort -c -w95 -mp1 -O0 -FR -o diabatic.o _diabatic.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_2stdebug.f > _evb_2stdebug.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_2stdebug.o _evb_2stdebug.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> egap_umb_2stdebug.f > _egap_umb_2stdebug.f
> ifort -c -w95 -mp1 -O0 -FR -o egap_umb_2stdebug.o
> _egap_umb_2stdebug.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> exchange_gauss.f > _exchange_gauss.f
> ifort -c -w95 -mp1 -O0 -FR -o exchange_gauss.o _exchange_gauss.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> exchange_warshel.f > _exchange_warshel.f
> ifort -c -w95 -mp1 -O0 -FR -o exchange_warshel.o
> _exchange_warshel.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> parms.f > _parms.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o parms.o _parms.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> morsify.f > _morsify.f
> ifort -c -w95 -mp1 -O0 -FR -o morsify.o _morsify.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> morse_anal2num.f > _morse_anal2num.f
> ifort -c -w95 -mp1 -O0 -FR -o morse_anal2num.o _morse_anal2num.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_pimd_init.f > _evb_pimd_init.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_pimd_init.o _evb_pimd_init.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_matrix.f > _evb_matrix.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o evb_matrix.o
> _evb_matrix.f
> _evb_matrix.f(72) : (col. 3) remark: LOOP WAS VECTORIZED.
> _evb_matrix.f(154) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_matrix.f(154) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_matrix.f(130) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_matrix.f(130) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_matrix.f(103) : (col. 12) remark: LOOP WAS VECTORIZED.
> _evb_matrix.f(105) : (col. 12) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> evb_ntrfc.f > _evb_ntrfc.f
> ifort -c -w95 -mp1 -O0 -FR -o evb_ntrfc.o _evb_ntrfc.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> out_evb.f > _out_evb.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o out_evb.o _out_evb.f
> _out_evb.f(296) : (col. 15) remark: LOOP WAS VECTORIZED.
> _out_evb.f(274) : (col. 15) remark: LOOP WAS VECTORIZED.
> _out_evb.f(255) : (col. 15) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> constants.f > _constants.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o constants.o
> _constants.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> stack.f > _stack.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o stack.o _stack.f
> _stack.f(181) : (col. 11) remark: LOOP WAS VECTORIZED.
> _stack.f(167) : (col. 11) remark: stack_mp_get_istack_ has been
> targeted for automatic cpu dispatch.
> _stack.f(219) : (col. 11) remark: LOOP WAS VECTORIZED.
> _stack.f(383) : (col. 10) remark: LOOP WAS VECTORIZED.
> _stack.f(373) : (col. 11) remark: stack_mp_resize_istack_ has been
> targeted for automatic cpu dispatch.
> _stack.f(405) : (col. 5) remark: LOOP WAS VECTORIZED.
> _stack.f(395) : (col. 11) remark: stack_mp_reassign_istack_ has
> been targeted for automatic cpu dispatch.
> _stack.f(433) : (col. 8) remark: LOOP WAS VECTORIZED.
> _stack.f(454) : (col. 5) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> findmask.f > _findmask.f
> ifort -c -w95 -mp1 -O0 -FR -o findmask.o _findmask.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> qmmm_module.f > _qmmm_module.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o qmmm_module.o
> _qmmm_module.f
> _qmmm_module.f(804) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(804) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(807) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(807) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(809) : (col. 21) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(809) : (col. 21) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(811) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(811) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(812) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(812) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(813) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(813) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(814) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(814) : (col. 18) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(520) : (col. 11) remark:
> qmmm_module_mp_qmmm_mpi_setup_ has been targeted for automatic cpu
> dispatch.
> _qmmm_module.f(1539) : (col. 3) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1580) : (col. 11) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1581) : (col. 44) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1582) : (col. 27) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1815) : (col. 3) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1374) : (col. 11) remark:
> qmmm_module_mp_read_qmmm_namelist_and_allocate_ has been targeted
> for automatic cpu dispatch.
> _qmmm_module.f(1926) : (col. 6) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1928) : (col. 7) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1939) : (col. 7) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1908) : (col. 11) remark:
> qmmm_module_mp_reallocate_iqm_atno_array_ has been targeted for
> automatic cpu dispatch.
> _qmmm_module.f(1968) : (col. 6) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1970) : (col. 7) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1981) : (col. 7) remark: LOOP WAS VECTORIZED.
> _qmmm_module.f(1950) : (col. 11) remark:
> qmmm_module_mp_reallocate_iqmatoms_array_ has been targeted for
> automatic cpu dispatch.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> trace.f > _trace.f
> ifort -c -w95 -mp1 -O0 -FR -o trace.o _trace.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> lmod.f > _lmod.f
> ifort -c -w95 -mp1 -O0 -FR -o lmod.o _lmod.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> decomp.f > _decomp.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o decomp.o _decomp.f
> _decomp.f(152) : (col. 3) remark: LOOP WAS VECTORIZED.
> _decomp.f(156) : (col. 3) remark: LOOP WAS VECTORIZED.
> _decomp.f(181) : (col. 7) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> icosasurf.f > _icosasurf.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o icosasurf.o
> _icosasurf.f
> _icosasurf.f(165) : (col. 13) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> pimd_vars.f > _pimd_vars.f
> ifort -c -w95 -mp1 -O0 -FR -o pimd_vars.o _pimd_vars.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI egb.f
> > _egb.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o egb.o _egb.f
> _egb.f(858) : (col. 4) remark: LOOP WAS VECTORIZED.
> _egb.f(883) : (col. 3) remark: LOOP WAS VECTORIZED.
> _egb.f(910) : (col. 7) remark: LOOP WAS VECTORIZED.
> _egb.f(937) : (col. 11) remark: LOOP WAS VECTORIZED.
> _egb.f(974) : (col. 9) remark: LOOP WAS VECTORIZED.
> _egb.f(977) : (col. 9) remark: LOOP WAS VECTORIZED.
> _egb.f(980) : (col. 9) remark: LOOP WAS VECTORIZED.
> _egb.f(999) : (col. 12) remark: LOOP WAS VECTORIZED.
> _egb.f(1220) : (col. 7) remark: LOOP WAS VECTORIZED.
> _egb.f(1256) : (col. 9) remark: LOOP WAS VECTORIZED.
> _egb.f(1375) : (col. 9) remark: LOOP WAS VECTORIZED.
> _egb.f(1836) : (col. 7) remark: LOOP WAS VECTORIZED.
> _egb.f(2280) : (col. 3) remark: LOOP WAS VECTORIZED.
> _egb.f(2367) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2368) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2525) : (col. 9) remark: LOOP WAS VECTORIZED.
> _egb.f(2540) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2541) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2546) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2548) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2556) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2558) : (col. 7) remark: LOOP WAS VECTORIZED.
> _egb.f(2566) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2569) : (col. 6) remark: LOOP WAS VECTORIZED.
> _egb.f(2576) : (col. 7) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> sa_driver.f > _sa_driver.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o sa_driver.o
> _sa_driver.f
> _sa_driver.f(357) : (col. 3) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(397) : (col. 3) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(417) : (col. 3) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(752) : (col. 7) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(743) : (col. 7) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(868) : (col. 3) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(924) : (col. 3) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(1005) : (col. 3) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(1005) : (col. 15) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(1005) : (col. 27) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(1005) : (col. 37) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(1005) : (col. 49) remark: LOOP WAS VECTORIZED.
> _sa_driver.f(1232) : (col. 3) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> pb_force.f > _pb_force.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o pb_force.o
> _pb_force.f
> _pb_force.f(445) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(605) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_force.f(582) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_force.f(582) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_force.f(689) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(689) : (col. 47) remark: LOOP WAS VECTORIZED.
> _pb_force.f(736) : (col. 12) remark: LOOP WAS VECTORIZED.
> _pb_force.f(719) : (col. 12) remark: LOOP WAS VECTORIZED.
> _pb_force.f(770) : (col. 6) remark: LOOP WAS VECTORIZED.
> _pb_force.f(840) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(841) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(842) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(843) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(844) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(845) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(846) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(847) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(848) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(849) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(850) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(851) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(852) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(853) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(854) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(855) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(856) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(857) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(858) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(869) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_force.f(863) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_force.f(879) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(880) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(881) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(889) : (col. 6) remark: LOOP WAS VECTORIZED.
> _pb_force.f(918) : (col. 18) remark: LOOP WAS VECTORIZED.
> _pb_force.f(921) : (col. 18) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1222) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_force.f(1222) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_force.f(1232) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_force.f(1232) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_force.f(1295) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1720) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1720) : (col. 15) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1720) : (col. 27) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1742) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1744) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1733) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1759) : (col. 6) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1796) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1797) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1798) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1799) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1804) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1809) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1809) : (col. 34) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1823) : (col. 12) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1820) : (col. 12) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1818) : (col. 12) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1818) : (col. 26) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1850) : (col. 6) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1851) : (col. 6) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1852) : (col. 6) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1856) : (col. 4) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1491) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_force.f(1678) : (col. 3) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> pb_exmol.f > _pb_exmol.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o pb_exmol.o
> _pb_exmol.f
> _pb_exmol.f(163) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(163) : (col. 28) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(163) : (col. 53) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(167) : (col. 6) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(228) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(229) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(189) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(190) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(198) : (col. 30) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(202) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(215) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(417) : (col. 12) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(425) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(427) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(427) : (col. 68) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(430) : (col. 9) remark: LOOP WAS VECTORIZED.
> _pb_exmol.f(430) : (col. 68) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> pb_mpfrc.f > _pb_mpfrc.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o pb_mpfrc.o
> _pb_mpfrc.f
> _pb_mpfrc.f(175) : (col. 16) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(175) : (col. 28) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(175) : (col. 40) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(189) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(190) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(221) : (col. 10) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(234) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(234) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(234) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(238) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(238) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(239) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(239) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(244) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(244) : (col. 8) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(246) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(246) : (col. 21) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(249) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(256) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(294) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(335) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_mpfrc.f(335) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_mpfrc.f(395) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(406) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_mpfrc.f(415) : (col. 10) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> pb_direct.f > _pb_direct.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o pb_direct.o
> _pb_direct.f
> _pb_direct.f(296) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_direct.f(304) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_direct.f(324) : (col. 7) remark: LOOP WAS VECTORIZED.
> _pb_direct.f(454) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_direct.f(454) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_direct.f(469) : (col. 7) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> pb_list.f > _pb_list.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o pb_list.o _pb_list.f
> _pb_list.f(168) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_list.f(223) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _pb_list.f(474) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_list.f(624) : (col. 3) remark: LOOP WAS VECTORIZED.
> _pb_list.f(700) : (col. 3) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> np_force.f > _np_force.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o np_force.o
> _np_force.f
> _np_force.f(367) : (col. 3) remark: LOOP WAS VECTORIZED.
> _np_force.f(371) : (col. 3) remark: LOOP WAS VECTORIZED.
> _np_force.f(381) : (col. 19) remark: LOOP WAS VECTORIZED.
> _np_force.f(381) : (col. 42) remark: LOOP WAS VECTORIZED.
> _np_force.f(382) : (col. 6) remark: LOOP WAS VECTORIZED.
> _np_force.f(382) : (col. 29) remark: LOOP WAS VECTORIZED.
> _np_force.f(382) : (col. 52) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> relax_mat.f > _relax_mat.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o relax_mat.o
> _relax_mat.f
> _relax_mat.f(1253) : (col. 10) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3081) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3100) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3114) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3118) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3150) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3190) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(365) : (col. 16) remark: PARTIAL LOOP WAS VECTORIZED.
> _relax_mat.f(336) : (col. 16) remark: PARTIAL LOOP WAS VECTORIZED.
> _relax_mat.f(2001) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2013) : (col. 8) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2023) : (col. 13) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2062) : (col. 13) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2075) : (col. 13) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2050) : (col. 13) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2164) : (col. 19) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2184) : (col. 19) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2191) : (col. 19) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2128) : (col. 19) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2294) : (col. 22) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2286) : (col. 22) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2488) : (col. 13) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2643) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2655) : (col. 10) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(2512) : (col. 11) remark: relax_mat_mp_amatg_ has been
> targeted for automatic cpu dispatch.
> _relax_mat.f(1068) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3649) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3653) : (col. 7) remark: LOOP WAS VECTORIZED.
> _relax_mat.f(3201) : (col. 11) remark: relax_mat_mp_noeread_ has
> been targeted for automatic cpu dispatch.
> _relax_mat.f(1494) : (col. 7) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI nmr.f
> > _nmr.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o nmr.o _nmr.f
> _nmr.f(1704) : (col. 6) remark: LOOP WAS VECTORIZED.
> _nmr.f(1705) : (col. 6) remark: LOOP WAS VECTORIZED.
> _nmr.f(1727) : (col. 3) remark: LOOP WAS VECTORIZED.
> _nmr.f(1728) : (col. 3) remark: LOOP WAS VECTORIZED.
> _nmr.f(1783) : (col. 6) remark: LOOP WAS VECTORIZED.
> _nmr.f(1795) : (col. 6) remark: LOOP WAS VECTORIZED.
> _nmr.f(1807) : (col. 6) remark: LOOP WAS VECTORIZED.
> _nmr.f(1820) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(1835) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(1853) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(1870) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(1885) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(1898) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(2392) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(2459) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2459) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2459) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2452) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2452) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2452) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2445) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2445) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2445) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(3338) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(3338) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(3338) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(3321) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(3321) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(3321) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(3474) : (col. 4) remark: LOOP WAS VECTORIZED.
> _nmr.f(4335) : (col. 3) remark: BLOCK WAS VECTORIZED.
> _nmr.f(4674) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(4894) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(4894) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(4894) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(4888) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(4888) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(4888) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(4872) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(4872) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(4872) : (col. 17) remark: LOOP WAS VECTORIZED.
> _nmr.f(2842) : (col. 7) remark: LOOP WAS VECTORIZED.
> _nmr.f(5472) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nmr.f(5625) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5625) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5625) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5629) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5629) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5629) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5633) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5633) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5633) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5610) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5610) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5610) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5614) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5614) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nmr.f(5614) : (col. 14) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> multisander.f > _multisander.f
> ifort -c -w95 -mp1 -O0 -FR -o multisander.o _multisander.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> fastwt.f > _fastwt.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o fastwt.o _fastwt.f
> _fastwt.f(150) : (col. 4) remark: LOOP WAS VECTORIZED.
> _fastwt.f(153) : (col. 4) remark: LOOP WAS VECTORIZED.
> _fastwt.f(182) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _fastwt.f(189) : (col. 7) remark: LOOP WAS VECTORIZED.
> _fastwt.f(193) : (col. 4) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> nonbond_list.f > _nonbond_list.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o nonbond_list.o
> _nonbond_list.f
> _nonbond_list.f(828) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(828) : (col. 14) remark: PARTIAL LOOP WAS VECTORIZED.
> _nonbond_list.f(912) : (col. 14) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(972) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(981) : (col. 13) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1924) : (col. 7) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1757) : (col. 11) remark: nblist_mp_setup_grids_
> has been targeted for automatic cpu dispatch.
> _nonbond_list.f(2243) : (col. 4) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(2277) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _nonbond_list.f(1536) : (col. 3) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1587) : (col. 19) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1622) : (col. 25) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1546) : (col. 10) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1247) : (col. 4) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1252) : (col. 4) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1258) : (col. 7) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1336) : (col. 22) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1280) : (col. 19) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(1034) : (col. 11) remark: nblist_mp_get_nb_list_
> has been targeted for automatic cpu dispatch.
> _nonbond_list.f(2463) : (col. 4) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(2304) : (col. 11) remark: nblist_mp_pack_nb_list_
> has been targeted for automatic cpu dispatch.
> _nonbond_list.f(2623) : (col. 4) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(2478) : (col. 11) remark:
> nblist_mp_pack_nb_nogrdptrs_ has been targeted for automatic cpu
> dispatch.
> _nonbond_list.f(2174) : (col. 4) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(2193) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _nonbond_list.f(2658) : (col. 4) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(3404) : (col. 7) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(3411) : (col. 7) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(3418) : (col. 7) remark: LOOP WAS VECTORIZED.
> _nonbond_list.f(3425) : (col. 7) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> ew_bspline.f > _ew_bspline.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o ew_bspline.o
> _ew_bspline.f
> _ew_bspline.f(391) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(464) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(466) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(469) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(492) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(561) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(567) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(569) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(571) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(532) : (col. 11) remark: ew_bspline_mp_load_prefacs_
> has been targeted for automatic cpu dispatch.
> _ew_bspline.f(593) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(579) : (col. 11) remark: ew_bspline_mp_dftmod_ has
> been targeted for automatic cpu dispatch.
> _ew_bspline.f(677) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(677) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(701) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(740) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(740) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(764) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(769) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_bspline.f(796) : (col. 4) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> ew_recip.f > _ew_recip.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o ew_recip.o
> _ew_recip.f
> _ew_recip.f(514) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(514) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(514) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(514) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(514) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(982) : (col. 6) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(1025) : (col. 12) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(1671) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(1678) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(1685) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(1695) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_recip.f(1799) : (col. 3) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_mdin.f > _amoeba_mdin.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_mdin.o
> _amoeba_mdin.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_runmd.f > _amoeba_runmd.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_runmd.o
> _amoeba_runmd.f
> _amoeba_runmd.f(567) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(575) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(576) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(577) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(578) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(589) : (col. 11) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(589) : (col. 11) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(618) : (col. 16) remark: PARTIAL LOOP WAS VECTORIZED.
> _amoeba_runmd.f(618) : (col. 16) remark: PARTIAL LOOP WAS VECTORIZED.
> _amoeba_runmd.f(618) : (col. 16) remark: PARTIAL LOOP WAS VECTORIZED.
> _amoeba_runmd.f(623) : (col. 8) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(967) : (col. 4) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(968) : (col. 4) remark: LOOP WAS VECTORIZED.
> _amoeba_runmd.f(981) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _amoeba_runmd.f(981) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _amoeba_runmd.f(981) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _amoeba_runmd.f(1005) : (col. 4) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_multipoles.f > _amoeba_multipoles.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o
> amoeba_multipoles.o _amoeba_multipoles.f
> _amoeba_multipoles.f(291) : (col. 4) remark: LOOP WAS VECTORIZED.
> _amoeba_multipoles.f(488) : (col. 7) remark: LOOP WAS VECTORIZED.
> _amoeba_multipoles.f(830) : (col. 3) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(844) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(873) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(926) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(562) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_multipoles.f(496) : (col. 11) remark:
> amoeba_multipoles_mp_am_mpole_get_de_drot_mpoles_ has been targeted
> for automatic cpu dispatch.
> _amoeba_multipoles.f(1046) : (col. 3) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(1061) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(1095) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(1215) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(656) : (col. 7) remark: LOOP WAS VECTORIZED.
> _amoeba_multipoles.f(662) : (col. 7) remark: LOOP WAS VECTORIZED.
> _amoeba_multipoles.f(1464) : (col. 3) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(1478) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(1514) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> _amoeba_multipoles.f(1572) : (col. 5) remark: PARTIAL LOOP WAS
> VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_induced.f > _amoeba_induced.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_induced.o
> _amoeba_induced.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_vdw.f > _amoeba_vdw.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_vdw.o
> _amoeba_vdw.f
> _amoeba_vdw.f(229) : (col. 3) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_adjust.f > _amoeba_adjust.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_adjust.o
> _amoeba_adjust.f
> _amoeba_adjust.f(893) : (col. 6) remark: LOOP WAS VECTORIZED.
> _amoeba_adjust.f(1031) : (col. 6) remark: LOOP WAS VECTORIZED.
> _amoeba_adjust.f(1157) : (col. 6) remark: LOOP WAS VECTORIZED.
> _amoeba_adjust.f(1215) : (col. 6) remark: LOOP WAS VECTORIZED.
> _amoeba_adjust.f(1409) : (col. 12) remark: LOOP WAS VECTORIZED.
> _amoeba_adjust.f(1485) : (col. 12) remark: LOOP WAS VECTORIZED.
> _amoeba_adjust.f(1666) : (col. 12) remark: LOOP WAS VECTORIZED.
> _amoeba_adjust.f(1735) : (col. 12) remark: LOOP WAS VECTORIZED.
> _amoeba_adjust.f(1742) : (col. 12) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_recip.f > _amoeba_recip.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_recip.o
> _amoeba_recip.f
> _amoeba_recip.f(1061) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1066) : (col. 7) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1079) : (col. 9) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1087) : (col. 10) remark: BLOCK WAS VECTORIZED.
> _amoeba_recip.f(1124) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1256) : (col. 6) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1262) : (col. 8) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1276) : (col. 10) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1286) : (col. 11) remark: BLOCK WAS VECTORIZED.
> _amoeba_recip.f(1290) : (col. 11) remark: BLOCK WAS VECTORIZED.
> _amoeba_recip.f(1361) : (col. 6) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1386) : (col. 5) remark: PARTIAL LOOP WAS VECTORIZED.
> _amoeba_recip.f(1368) : (col. 11) remark:
> amoeba_recip_mp_am_recip_perm_ene_grad_ has been targeted for
> automatic cpu dispatch.
> _amoeba_recip.f(1533) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(849) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1686) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_recip.f(1668) : (col. 11) remark:
> amoeba_recip_mp_am_test_frac_cart_ene_ has been targeted for
> automatic cpu dispatch.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_valence.f > _amoeba_valence.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_valence.o
> _amoeba_valence.f
> _amoeba_valence.f(3414) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(3408) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(3402) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1167) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1398) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1406) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1445) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1541) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1665) : (col. 9) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1665) : (col. 9) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1665) : (col. 9) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1668) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1742) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1843) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1977) : (col. 9) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1977) : (col. 9) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1977) : (col. 9) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(1980) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(2109) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(2114) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(2209) : (col. 3) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(2433) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(2798) : (col. 4) remark: BLOCK WAS VECTORIZED.
> _amoeba_valence.f(3106) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(3122) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(3205) : (col. 5) remark: LOOP WAS VECTORIZED.
> _amoeba_valence.f(3209) : (col. 5) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_direct.f > _amoeba_direct.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_direct.o
> _amoeba_direct.f
> _amoeba_direct.f(1053) : (col. 10) remark: LOOP WAS VECTORIZED.
> _amoeba_direct.f(1192) : (col. 10) remark: LOOP WAS VECTORIZED.
> _amoeba_direct.f(1265) : (col. 10) remark: LOOP WAS VECTORIZED.
> _amoeba_direct.f(1360) : (col. 13) remark: LOOP WAS VECTORIZED.
> _amoeba_direct.f(1606) : (col. 16) remark: LOOP WAS VECTORIZED.
> _amoeba_direct.f(1705) : (col. 16) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_self.f > _amoeba_self.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_self.o
> _amoeba_self.f
> _amoeba_self.f(308) : (col. 3) remark: BLOCK WAS VECTORIZED.
> _amoeba_self.f(328) : (col. 3) remark: BLOCK WAS VECTORIZED.
> _amoeba_self.f(338) : (col. 3) remark: BLOCK WAS VECTORIZED.
> _amoeba_self.f(351) : (col. 7) remark: LOOP WAS VECTORIZED.
> _amoeba_self.f(419) : (col. 7) remark: LOOP WAS VECTORIZED.
> _amoeba_self.f(443) : (col. 7) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> amoeba_interface.f > _amoeba_interface.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o amoeba_interface.o
> _amoeba_interface.f
> _amoeba_interface.f(174) : (col. 2) remark: LOOP WAS VECTORIZED.
> _amoeba_interface.f(175) : (col. 2) remark: LOOP WAS VECTORIZED.
> _amoeba_interface.f(592) : (col. 3) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> sander.f > _sander.f
> ifort -c -w95 -mp1 -O0 -FR -o sander.o _sander.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> trajene.f > _trajene.f
> ifort -c -w95 -mp1 -O0 -FR -o trajene.o _trajene.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> cshf.f > _cshf.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o cshf.o _cshf.f
> _cshf.f(469) : (col. 10) remark: LOOP WAS VECTORIZED.
> _cshf.f(497) : (col. 10) remark: LOOP WAS VECTORIZED.
> _cshf.f(625) : (col. 10) remark: LOOP WAS VECTORIZED.
> _cshf.f(805) : (col. 16) remark: LOOP WAS VECTORIZED.
> _cshf.f(810) : (col. 16) remark: LOOP WAS VECTORIZED.
> _cshf.f(815) : (col. 16) remark: LOOP WAS VECTORIZED.
> _cshf.f(823) : (col. 16) remark: LOOP WAS VECTORIZED.
> _cshf.f(1215) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> _cshf.f(1215) : (col. 7) remark: PARTIAL LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> nmrcal.f > _nmrcal.f
> ifort -c -w95 -mp1 -O0 -FR -o nmrcal.o _nmrcal.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> pearsn.f > _pearsn.f
> ifort -c -w95 -mp1 -O0 -FR -o pearsn.o _pearsn.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> printe.f > _printe.f
> ifort -c -w95 -mp1 -O0 -FR -o printe.o _printe.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> runmin.f > _runmin.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o runmin.o _runmin.f
> _runmin.f(768) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmin.f(916) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmin.f(920) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmin.f(943) : (col. 9) remark: LOOP WAS VECTORIZED.
> _runmin.f(944) : (col. 9) remark: LOOP WAS VECTORIZED.
> _runmin.f(1128) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmin.f(1129) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmin.f(1099) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmin.f(1099) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmin.f(986) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmin.f(1000) : (col. 4) remark: LOOP WAS VECTORIZED.
> _runmin.f(883) : (col. 12) remark: LOOP WAS VECTORIZED.
> _runmin.f(884) : (col. 12) remark: LOOP WAS VECTORIZED.
> _runmin.f(897) : (col. 9) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> rdparm.f > _rdparm.f
> ifort -c -w95 -mp1 -O0 -FR -o rdparm.o _rdparm.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> mdread.f > _mdread.f
> ifort -c -w95 -mp1 -O0 -FR -o mdread.o _mdread.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> locmem.f > _locmem.f
> ifort -c -w95 -mp1 -O0 -FR -o locmem.o _locmem.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> bintraj.f > _bintraj.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o bintraj.o _bintraj.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> runmd.f > _runmd.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o runmd.o _runmd.f
> _runmd.f(1093) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1094) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1095) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1096) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1097) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1098) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1099) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1107) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1118) : (col. 9) remark: LOOP WAS VECTORIZED.
> _runmd.f(1215) : (col. 7) remark: LOOP WAS VECTORIZED.
> _runmd.f(1253) : (col. 4) remark: LOOP WAS VECTORIZED.
> _runmd.f(1257) : (col. 4) remark: LOOP WAS VECTORIZED.
> _runmd.f(1326) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmd.f(1427) : (col. 19) remark: LOOP WAS VECTORIZED.
> _runmd.f(1415) : (col. 19) remark: LOOP WAS VECTORIZED.
> _runmd.f(1408) : (col. 19) remark: LOOP WAS VECTORIZED.
> _runmd.f(1396) : (col. 19) remark: LOOP WAS VECTORIZED.
> _runmd.f(1561) : (col. 14) remark: LOOP WAS VECTORIZED.
> _runmd.f(1561) : (col. 14) remark: LOOP WAS VECTORIZED.
> _runmd.f(1561) : (col. 14) remark: LOOP WAS VECTORIZED.
> _runmd.f(1638) : (col. 7) remark: LOOP WAS VECTORIZED.
> _runmd.f(1653) : (col. 4) remark: LOOP WAS VECTORIZED.
> _runmd.f(1661) : (col. 4) remark: LOOP WAS VECTORIZED.
> _runmd.f(1665) : (col. 4) remark: LOOP WAS VECTORIZED.
> _runmd.f(1704) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmd.f(1769) : (col. 7) remark: LOOP WAS VECTORIZED.
> _runmd.f(1802) : (col. 10) remark: LOOP WAS VECTORIZED.
> _runmd.f(1897) : (col. 11) remark: LOOP WAS VECTORIZED.
> _runmd.f(1942) : (col. 3) remark: LOOP WAS VECTORIZED.
> _runmd.f(1943) : (col. 4) remark: LOOP WAS VECTORIZED.
> _runmd.f(1962) : (col. 9) remark: LOOP WAS VECTORIZED.
> _runmd.f(1963) : (col. 9) remark: LOOP WAS VECTORIZED.
> _runmd.f(2022) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmd.f(2023) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmd.f(2079) : (col. 13) remark: LOOP WAS VECTORIZED.
> _runmd.f(2118) : (col. 13) remark: LOOP WAS VECTORIZED.
> _runmd.f(2239) : (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> _runmd.f(2239) : (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> _runmd.f(2239) : (col. 13) remark: PARTIAL LOOP WAS VECTORIZED.
> _runmd.f(2262) : (col. 15) remark: LOOP WAS VECTORIZED.
> _runmd.f(2264) : (col. 15) remark: LOOP WAS VECTORIZED.
> _runmd.f(2299) : (col. 10) remark: LOOP WAS VECTORIZED.
> _runmd.f(2344) : (col. 10) remark: LOOP WAS VECTORIZED.
> _runmd.f(87) : (col. 11) remark: runmd_ has been targeted for
> automatic cpu dispatch.
> _runmd.f(2507) : (col. 4) remark: LOOP WAS VECTORIZED.
> _runmd.f(2520) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmd.f(2518) : (col. 6) remark: LOOP WAS VECTORIZED.
> _runmd.f(2377) : (col. 11) remark: quench_ has been targeted for
> automatic cpu dispatch.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> getcor.f > _getcor.f
> ifort -c -w95 -mp1 -O0 -FR -o getcor.o _getcor.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> degcnt.f > _degcnt.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o degcnt.o _degcnt.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> decnvh.f > _decnvh.f
> ifort -c -w95 -mp1 -O0 -FR -o decnvh.o _decnvh.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> spatial_fft.f > _spatial_fft.f
> spatial_fft.f:829: warning: "AMBER_MPI_REAL" redefined
> In file included from spatial_fft.f:4:
> dprec.h:42: warning: this is the location of the previous definition
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o spatial_fft.o
> _spatial_fft.f
> _spatial_fft.f(275) : (col. 11) remark: fft_mp_backward_rc_fft_ has
> been targeted for automatic cpu dispatch.
> _spatial_fft.f(911) : (col. 11) remark: fft_mp_fft_1d_realcomplex_
> has been targeted for automatic cpu dispatch.
> _spatial_fft.f(1047) : (col. 11) remark: fft_mp_transpose_ has been
> targeted for automatic cpu dispatch.
> _spatial_fft.f(612) : (col. 11) remark: fft_mp_forward_rc_fft_ has
> been targeted for automatic cpu dispatch.
> _spatial_fft.f(1454) : (col. 11) remark: fft_mp_ftranspose_ has
> been targeted for automatic cpu dispatch.
> _spatial_fft.f(1869) : (col. 11) remark: fft_mp_x_fft_ has been
> targeted for automatic cpu dispatch.
> _spatial_fft.f(1981) : (col. 11) remark: fft_mp_y_fft_ has been
> targeted for automatic cpu dispatch.
> _spatial_fft.f(2091) : (col. 11) remark: fft_mp_z_fft_ has been
> targeted for automatic cpu dispatch.
> _spatial_fft.f(597) : (col. 3) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> parallel.f > _parallel.f
> ifort -c -w95 -mp1 -O0 -FR -o parallel.o _parallel.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> shake.f > _shake.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o shake.o _shake.f
> _shake.f(271) : (col. 4) remark: LOOP WAS VECTORIZED.
> _shake.f(399) : (col. 7) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI ene.f
> > _ene.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o ene.o _ene.f
> _ene.f(400) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ene.f(464) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ene.f(72) : (col. 11) remark: bond_ has been targeted for
> automatic cpu dispatch.
> _ene.f(813) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ene.f(880) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ene.f(479) : (col. 11) remark: angl_ has been targeted for
> automatic cpu dispatch.
> _ene.f(1223) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _ene.f(1223) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _ene.f(1223) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _ene.f(1232) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _ene.f(1232) : (col. 4) remark: PARTIAL LOOP WAS VECTORIZED.
> _ene.f(1244) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ene.f(1296) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ene.f(1357) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ene.f(1473) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ene.f(894) : (col. 11) remark: ephi_ has been targeted for
> automatic cpu dispatch.
> _ene.f(1684) : (col. 6) remark: LOOP WAS VECTORIZED.
> _ene.f(2382) : (col. 6) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> mdwrit.f > _mdwrit.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o mdwrit.o _mdwrit.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> minrit.f > _minrit.f
> ifort -c -w95 -mp1 -O0 -FR -o minrit.o _minrit.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI set.f
> > _set.f
> ifort -c -w95 -mp1 -O0 -FR -o set.o _set.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> dynlib.f > _dynlib.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o dynlib.o _dynlib.f
> _dynlib.f(1238) : (col. 7) remark: LOOP WAS VECTORIZED.
> _dynlib.f(1218) : (col. 6) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> mdfil.f > _mdfil.f
> ifort -c -w95 -mp1 -O0 -FR -o mdfil.o _mdfil.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> nmlsrc.f > _nmlsrc.f
> ifort -c -w95 -mp1 -O0 -FR -o nmlsrc.o _nmlsrc.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> ew_dipole_recip.f > _ew_dipole_recip.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o ew_dipole_recip.o
> _ew_dipole_recip.f
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> spatial_dcmp.f > _spatial_dcmp.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o spatial_dcmp.o
> _spatial_dcmp.f
> _spatial_dcmp.f(292) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(310) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(301) : (col. 11) remark:
> spatial_mp_prefill_spatial_lists_ has been targeted for automatic
> cpu dispatch.
> _spatial_dcmp.f(574) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(595) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(596) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(597) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(598) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(611) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(612) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(638) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(643) : (col. 9) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(643) : (col. 9) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(320) : (col. 11) remark:
> spatial_mp_spatial_startup_ has been targeted for automatic cpu
> dispatch.
> _spatial_dcmp.f(943) : (col. 4) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1294) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1294) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1115) : (col. 11) remark:
> spatial_mp_fill_spatial_direct_ has been targeted for automatic cpu
> dispatch.
> _spatial_dcmp.f(4555) : (col. 4) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(4565) : (col. 4) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(4670) : (col. 19) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(4674) : (col. 19) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(4496) : (col. 11) remark:
> spatial_mp_shake_spatial_startup_ has been targeted for automatic
> cpu dispatch.
> _spatial_dcmp.f(1933) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1999) : (col. 10) remark: PARTIAL LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1999) : (col. 10) remark: PARTIAL LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1864) : (col. 11) remark:
> spatial_mp_get_send_tasks_ has been targeted for automatic cpu
> dispatch.
> _spatial_dcmp.f(2157) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(2185) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(2193) : (col. 7) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(2230) : (col. 13) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(2036) : (col. 11) remark:
> spatial_mp_dcmp_fill_ownedfrc_ has been targeted for automatic cpu
> dispatch.
> _spatial_dcmp.f(805) : (col. 4) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(809) : (col. 4) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1653) : (col. 6) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1754) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1755) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(1845) : (col. 4) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(2583) : (col. 7) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3479) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3524) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3524) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3597) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3598) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3601) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3601) : (col. 8) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3283) : (col. 11) remark:
> spatial_mp_spatial_newcells_ has been targeted for automatic cpu
> dispatch.
> _spatial_dcmp.f(4115) : (col. 6) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(4118) : (col. 9) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(4129) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(4141) : (col. 6) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(4159) : (col. 18) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3871) : (col. 4) remark: LOOP WAS VECTORIZED.
> _spatial_dcmp.f(3677) : (col. 3) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> spatial_recip.f > _spatial_recip.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o spatial_recip.o
> _spatial_recip.f
> _spatial_recip.f(524) : (col. 11) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(524) : (col. 11) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(524) : (col. 11) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(524) : (col. 11) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(524) : (col. 11) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(114) : (col. 11) remark:
> ew_recip_spatial_mp_spatial_do_pmesh_kspace_ has been targeted for
> automatic cpu dispatch.
> _spatial_recip.f(600) : (col. 11) remark:
> ew_recip_spatial_mp_spatial_fill_charge_grid_ has been targeted for
> automatic cpu dispatch.
> _spatial_recip.f(1033) : (col. 6) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(1080) : (col. 12) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(801) : (col. 11) remark:
> ew_recip_spatial_mp_spatial_grad_sumrc_ has been targeted for
> automatic cpu dispatch.
> _spatial_recip.f(1738) : (col. 7) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(1745) : (col. 7) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(1752) : (col. 7) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(1762) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(1861) : (col. 3) remark: LOOP WAS VECTORIZED.
> _spatial_recip.f(1498) : (col. 11) remark:
> ew_recip_spatial_mp_spatial_scalar_sumrc_orthog_ has been targeted
> for automatic cpu dispatch.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> ew_force.f > _ew_force.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o ew_force.o
> _ew_force.f
> _ew_force.f(777) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(778) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(779) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(780) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(781) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(782) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(783) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(784) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(808) : (col. 20) remark: LOOP WAS VECTORIZED.
> _ew_force.f(889) : (col. 11) remark: LOOP WAS VECTORIZED.
> _ew_force.f(891) : (col. 58) remark: LOOP WAS VECTORIZED.
> _ew_force.f(891) : (col. 58) remark: LOOP WAS VECTORIZED.
> _ew_force.f(934) : (col. 13) remark: LOOP WAS VECTORIZED.
> _ew_force.f(935) : (col. 13) remark: LOOP WAS VECTORIZED.
> _ew_force.f(946) : (col. 53) remark: LOOP WAS VECTORIZED.
> _ew_force.f(947) : (col. 19) remark: LOOP WAS VECTORIZED.
> _ew_force.f(946) : (col. 53) remark: LOOP WAS VECTORIZED.
> _ew_force.f(947) : (col. 19) remark: LOOP WAS VECTORIZED.
> _ew_force.f(876) : (col. 60) remark: LOOP WAS VECTORIZED.
> _ew_force.f(876) : (col. 60) remark: LOOP WAS VECTORIZED.
> _ew_force.f(1148) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_force.f(84) : (col. 11) remark: ewald_force_ has been targeted
> for automatic cpu dispatch.
> _ew_force.f(1497) : (col. 3) remark: LOOP WAS VECTORIZED.
> _ew_force.f(2617) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ew_force.f(2473) : (col. 11) remark: self_ has been targeted for
> automatic cpu dispatch.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> ew_setup.f > _ew_setup.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o ew_setup.o
> _ew_setup.f
> _ew_setup.f(193) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(226) : (col. 7) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(108) : (col. 11) remark: check_neutral_ has been
> targeted for automatic cpu dispatch.
> _ew_setup.f(1555) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(1556) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(2167) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(2182) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(2198) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(3469) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(3532) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(3547) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_setup.f(3749) : (col. 4) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> ew_box.f > _ew_box.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o ew_box.o _ew_box.f
> _ew_box.f(308) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_box.f(498) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_box.f(1404) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_box.f(1408) : (col. 4) remark: LOOP WAS VECTORIZED.
> cpp -traditional -I/usr/local/openmpi-1.2.3/include -P -DMPI
> ew_fft.f > _ew_fft.f
> ifort -c -w95 -mp1 -ip -O3 -tpp7 -axWP -FR -o ew_fft.o _ew_fft.f
> _ew_fft.f(201) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(201) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(201) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(201) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(466) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(473) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(488) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(495) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(247) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(247) : (col. 8) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(2247) : (col. 4) remark: LOOP WAS VECTORIZED.
> _ew_fft.f(23 |
