Re: [AMBER] error when compiling pmemd

From: Jorgen Simonsen <jorgen589.gmail.com>
Date: Tue, 10 Aug 2010 08:55:56 +0200

Hi

I remove this from the -lpiif from the MPI_LIBS in the config.h file but
get an error on undefined mpi links

mdin_ctrl_dat.o: In function `mdin_ctrl_dat_mod_mp_bcast_mdin_ctrl_dat_':
mdin_ctrl_dat.f90:(.text+0x21): undefined reference to `mpi_bcast_'
mdin_ctrl_dat.f90:(.text+0x45): undefined reference to `mpi_bcast_'
mdin_ewald_dat.o: In function `mdin_ewald_dat_mod_mp_bcast_mdin_ewald_dat_':
mdin_ewald_dat.f90:(.text+0x281): undefined reference to `mpi_bcast_'
mdin_ewald_dat.f90:(.text+0x2a5): undefined reference to `mpi_bcast_'
prmtop_dat.o: In function `prmtop_dat_mod_mp_bcast_amber_prmtop_dat_':
prmtop_dat.f90:(.text+0xa64): undefined reference to `mpi_bcast_'
prmtop_dat.o:prmtop_dat.f90:(.text+0xaad): more undefined references to
`mpi_bcast_' follow
dynamics_dat.o: In function `dynamics_dat_mod_mp_destroy_communicators_':
dynamics_dat.f90:(.text+0x1b0): undefined reference to `mpi_comm_free_'
dynamics_dat.f90:(.text+0x1fe): undefined reference to `mpi_group_free_'
dynamics_dat.o: In function `dynamics_dat_mod_mp_create_communicators_':
dynamics_dat.f90:(.text+0x3c7): undefined reference to `mpi_group_incl_'
dynamics_dat.f90:(.text+0x3f1): undefined reference to `mpi_comm_create_'
parallel.o: In function `parallel_mod_mp_pvt_mpi_gathervec_':
parallel.f90:(.text+0x5ce4): undefined reference to `mpi_gatherv_'
parallel.o: In function `parallel_mod_mp_mpi_gathervec_':
parallel.f90:(.text+0x5f5d): undefined reference to `mpi_gatherv_'
parallel.o: In function `parallel_mod_mp_pvt_mpi_allgathervec_':
etc etc

On Mon, Aug 9, 2010 at 9:57 PM, Jason Swails <jason.swails.gmail.com> wrote:

> On Mon, Aug 9, 2010 at 12:20 PM, Jorgen Simonsen <jorgen589.gmail.com
> >wrote:
>
> > Hi
> >
> > I fix it it was something with the path to mpi libraries but I get
> another
> > error later on in the compilation
> >
> > ld: cannot find -lmpiif
> >
>
> If you are using mpif90 as the compiler and linker, remove all mpi
> libraries
> from MPI_LIBRARY (or something like that) in the config.h file, since
> mpif90
> implicitly takes care of those.
>
> Good luck!
> Jason
>
>
> >
> > during this I get the warning
> >
> > ifort: command line remark #10148: option '-tp' not supported
> >
> >
> > can I ignore this one?
> >
> >
> >
> >
> > On Mon, Aug 9, 2010 at 3:06 PM, Ross Walker <ross.rosswalker.co.uk>
> wrote:
> >
> > > Hi Jorgen,
> > >
> > > > the error message is
> > > >
> > > > module gbl_constants_mod
> > > >
> > > > implicit none
> > > >
> > > > ! Global constants:
> > > ...
> > > > end module gbl_constants_mod
> > > > make[1]: *** [gbl_constants.o] Error 1
> > > > make[1]: Leaving directory `/home/Programs/amber10/src/pmemd/src'
> > > > make: *** [install] Error 2
> > >
> > > This is an extremely weird error message since it is not actually an
> > error
> > > message it is simply echoing the file to the screen. I suspect there
> are
> > > issues with your precompiler. Can you please post your config.h file
> > along
> > > with details of your system, gcc, cpp versions etc. Also please confirm
> > > that
> > > you can compile the rest of AMBER fine using your current login and
> > > environment setup - try it again just to be sure.
> > >
> > > Also did you apply all of the bugfixes?
> > >
> > > All the best
> > > Ross
> > >
> > > /\
> > > \/
> > > |\oss Walker
> > >
> > > ---------------------------------------------------------
> > > | Assistant Research Professor |
> > > | San Diego Supercomputer Center |
> > > | Adjunct Assistant Professor |
> > > | Dept. of Chemistry and Biochemistry |
> > > | University of California San Diego |
> > > | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> > > | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> > > ---------------------------------------------------------
> > >
> > > Note: Electronic Mail is not secure, has no guarantee of delivery, may
> > not
> > > be read every day, and should not be used for urgent or sensitive
> issues.
> > >
> > >
> > >
> > >
> > >
> > > _______________________________________________
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> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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Received on Tue Aug 10 2010 - 00:00:03 PDT
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