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
>
> _______________________________________________
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> 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
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Received on Mon Oct 25 2010 - 04:30:03 PDT
