Hi all,
I have compiled Amber9 with OpenMPI 1.2 without a hitch.
Machine - an 8-way (16 cores, Opteron) SMP box (Tyan VX50),
running SLES 10 64-bit with AMD ACML optimised libraries.
Here is the configure script for Amber9:
# myconfigure -------------------
PWD=`pwd`
export AMBERHOME=`dirname $PWD`
export MPI_HOME=/opt/mpich/openmpi
export CXX=g++
export F90=gfortran
export F95=gfortran
export F77=g77
export FC=g77
export FFLAGS='-I$MPI_HOME/include'
export ACML_DIR=/apps/acml/gfortran64/lib
export LD_LIBRARY_PATH=$ACML_DIR
./configure -bintraj -verbose -openmpi -p4 gfortran
#--------------------------------
And this is the start of the configuration log -
--------------
AMBERHOME is set to /usr/local/apps/amber9_openmpi12_ACML
Setting up Amber configuration file for architecture: gfortran
Using parallel communications library: openmpi
MPI_HOME is set to /opt/mpich/openmpi
Using optimized AMD Core Math Library (ACML)
...
Here is an extract of "make parallel" -
Starting installation of Amber9 (parallel) at Wed Mar 21 16:14:40 GMT 2007.
cd sander; make parallel
make[1]: Entering directory
`/home/local/apps/amber9_openmpi12_ACML/src/sander'
./checkparconf
cd ../netcdf/src; make install
...
...
...
gfortran -ffree-form -o sander.PIMD.MPI parms.o constants.o
qmmm_module.PIMD.o qm_link_atoms.PIMD.o qm_nb_list.
../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
../lib/nxtsec.o ../lib/sys.a ../netcdf/lib/libnetcdf.a
-L/apps/acml/gfortran64/lib -lacml_mv -lacml -Lyes
/bin/mv sander.MPI sander.LES.MPI sander.PIMD.MPI ../../exe
make[1]: Leaving directory
`/home/local/apps/amber9_openmpi12_ACML/src/sander'
Installation of Amber9 (parallel) is complete at Wed Mar 21 16:21:48 GMT
2007.
This is how the OpenMPI 1.2 was configured -
#--------------------------------
JAVA_HOME=/usr/lib64/jvm/java \
JAVA_ROOT=/usr/lib64/jvm/java \
F77_GETARGDECL='!' \
CC=gcc \
CXX=g++ \
FC=gfortran \
F90=gfortran \
FLINKER=gfortran \
CLINKER=gcc \
CCLINKER=g++ \
CFLAGS='-O2' \
CCFLAGS='-O2' \
FFLAGS='-O3' \
F90LAGS='-O3' \
../configure \
--build=x86_64-suse-linux-gnu \
--prefix=/opt/mpich/openmpi-1.2 \
--with-threads=posix \
--with-libnuma \
--enable-mpi-threads \
--disable-ipv6 \
--with-pic \
--with-tm=/opt/torque \
--enable-mca-static=maffinity-libnuma
#--------------------------------
Hope this helps,
Andrey Kaliazin
Senior Server Engineer (cluster computing)
Information Systems Aston (ISA)
Aston University, Aston Triangle,
Birmingham, B4 7ET
Tel: 0121 204 3465
> -----Original Message-----
> From: users-bounces_at_[hidden]
> [mailto:users-bounces_at_[hidden]] On Behalf Of Jeff Squyres
> Sent: Wednesday, July 25, 2007 12:50 PM
> To: Open MPI Users
> Subject: Re: [OMPI users] openmpi support ignored
>
> 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
> > surfing.
> > 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 VECTO | 
