Dear Jason,
I have applied all possible changes according to the previous communications
in the mailing list, but I still get some complicated error during
installation.
Can you please help me to modify my config.h file in appropriate way?
My OS: Redhat enterprise 5.2 32bit
CPU: intel Xeon Quad 3.2 GHZ
MKL: 8.0.1
IFORT: 11.1
INTELMPI:4.0
My configure script:
./configure linux_p4 ifort intelmpi bintraj
...............................................................................
MATH_DEFINES =
MATH_LIBS =
IFORT_RPATH = /opt/intel/impi/
4.0.0.017/ia32/lib:/opt/intel/impi/4.0.0/include:/opt/intel/Compiler/11.1/059/lib/ia32
MATH_DEFINES = -DMKL
MATH_LIBS = /opt/intel/mkl/8.0.1/lib/32/libmkl_ia32.a
-L/opt/intel/mkl/8.0.1/lib/32 -lguide -lpthread
FFT_DEFINES = -DPUBFFT
FFT_INCLUDE =
FFT_LIBS =
NETCDF_HOME = /home/mohamad/amber10/src/netcdf
NETCDF_DEFINES = -DBINTRAJ
NETCDF_MOD = netcdf.mod
NETCDF_LIBS = $(NETCDF_HOME)/lib/libnetcdf.a
MPI_HOME = /opt/intel/impi/4.0.0
MPI_DEFINES = -DMPI
MPI_INCLUDE = -I$(MPI_HOME)/include
MPI_LIBDIR = $(MPI_HOME)/lib64
MPI_LIBS = -L$(MPI_LIBDIR) -lmpi -lmpiif
DIRFRC_DEFINES = -DDIRFRC_COMTRANS -DDIRFRC_EFS
CPP = /lib/cpp
CPPFLAGS = -traditional -P
F90_DEFINES = -DFFTLOADBAL_2PROC
F90 = ifort
MODULE_SUFFIX = mod
F90FLAGS = -c -auto
F90_OPT_DBG = -g -traceback
F90_OPT_LO = -tpp7 -O0
F90_OPT_MED = -tpp7 -O2
F90_OPT_HI = -tpp7 -xW -ip -O3
F90_OPT_DFLT = $(F90_OPT_HI)
CC = gcc
CFLAGS =
LOAD = ifort
LOADFLAGS =
LOADLIBS = -limf -lsvml -Wl,-rpath=$(IFORT_RPATH)
Regards,
M. Reza
On Mon, Oct 25, 2010 at 2:53 PM, Jason Swails <jason.swails.gmail.com>wrote:
> Hello,
>
> You have to alter the config.h file. Remove all of the MPI_LIBRARY
> definitions (or MPI_LIB, I forget which it is). Also, change the fortran
> compiler and linker (FC, LOAD) from ifort to mpif90. Then do a "make
> clean"
> again before "make install".
>
> Good luck!
> Jason
>
> On Mon, Oct 25, 2010 at 5:29 AM, M. Reza Ganjalikhany <
> ganjalikhany.gmail.com> wrote:
>
> > Dear Amber users and experts,
> >
> > I want to install pmemd on AMBER10 but I got the following error while
> I'm
> > trying to compile it.
> > My OS: Redhat enterprise 5.2 32bit
> > MKL: 8.0.1
> > IFORT: 11.1
> > INTELMPI:4.0
> >
> > My configure script:
> > ./configure linux_p4 ifort intelmpi bintraj
> > make install
> >
> > Then I got this massage:
> >
> > .
> > .
> > .
> > .
> > .
> > ifort -c -auto -tpp7 -xW -ip -O3 charmm_gold.f90
> > ifort: command line remark #10148: option '-tp' not supported
> > ifort -o pmemd gbl_constants.o gbl_datatypes.o state_info.o
> file_io_dat.o
> > mdin_ctrl_dat.o mdin_ewald_dat.o mdin_debugf_dat.o prmtop_dat.o
> > inpcrd_dat.o
> > dynamics_dat.o img.o parallel_dat.o parallel.o gb_parallel.o pme_direct.o
> > pme_recip_dat.o pme_slab_recip.o pme_blk_recip.o pme_slab_fft.o
> > pme_blk_fft.o pme_fft_dat.o fft1d.o bspline.o pme_force.o pbc.o
> > nb_pairlist.o nb_exclusions.o cit.o dynamics.o bonds.o angles.o
> dihedrals.o
> > extra_pnts_nb14.o runmd.o loadbal.o shake.o prfs.o mol_list.o runmin.o
> > constraints.o axis_optimize.o gb_ene.o veclib.o gb_force.o timers.o
> > pmemd_lib.o runfiles.o file_io.o bintraj.o pmemd_clib.o pmemd.o random.o
> > degcnt.o erfcfun.o nmr_calls.o nmr_lib.o get_cmdline.o master_setup.o
> > pme_alltasks_setup.o pme_setup.o ene_frc_splines.o gb_alltasks_setup.o
> > nextprmtop_section.o angles_ub.o dihedrals_imp.o cmap.o charmm.o
> > charmm_gold.o /home/mohamad/amber10/src/netcdf/lib/libnetcdf.a
> > /opt/intel/mkl/8.0.1/lib/32/libmkl_ia32.a -L/opt/intel/mkl/8.0.1/lib/32
> > -lguide -lpthread -L/usr/local/bin/lib64 -lmpi -lmpiif -limf -lsvml
> > -Wl,-rpath=/opt/intel/impi/
> > 4.0.0.017/ia32/lib:/opt/intel/Compiler/11.1/059/
> > ld: cannot find -lmpiif
> > make[1]: *** [pmemd] Error 1
> > make[1]: Leaving directory `/home/mohamad/amber10/src/pmemd/src'
> > make: *** [install] Error 2
> >
> > Can anybody help with this error?
> > I also attached config.h file.
> >
> > All the best,
> > M. Reza
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 28 2010 - 04:30:02 PDT
