Sorry all,
This particular thread is going beyond the scope of this forum,
so we round it up asap.
Francesco,
My configurations are of course just a guidance and Intel compilers
may require different settings.
As you use Intel compilers you may (and probably) should
configure Amber to use MKL library instead of ACML - you will get
significant boost in speed in comparison with the standard BLAS/Lapack
supplied with Amber9.
For the sake of argument - if you use optimised BLAS in whatever
form, MKL or ACML, it does not matter as long as it is optimised for
the selected compiler - you won't see much speed gain by using
ifort over gfortran. One can argue forever, of course on this issue.
:-)
Also, nothing stops you from having two (or more) mpi stacks on
your system - I have 4 at the moment - mpich 1.2.7 and openmpi 1.2
for each compiler I have - gnu and pgi.
Switch between environments using environment modules.
cheers
Andrey
> -----Original Message-----
> From: users-bounces_at_[hidden]
> [mailto:users-bounces_at_[hidden]] On Behalf Of Francesco Pietra
> Sent: Wednesday, July 25, 2007 2:43 PM
> To: Open MPI Users
> Subject: Re: [OMPI users] openmpi support ignored
>
> Dear Andrey:
> My intel compilation of openmpi is in use for other
> applications, too. And with
> fortran, intel results in a much faster compilation, even
> with respect to amd
> libraries. That was reported recently on this mailing list
> also from amber gb.
> The quickest (and more efficient) solution in my case would
> be to adapt flags
> amber/openmpi in order that openmpi understands what amber is
> looking for. What
> you wrote probably could help to this regard.
>
> Thanks
> francesco pietra
>
> --- Andrey Kaliazin <A.Kaliazin_at_[hidden]> wrote:
>
> 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_real |
