Re: [AMBER] error when compiling pmemd

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 10 Aug 2010 09:05:14 -0400

Can you post your config.h file here?

On Tue, Aug 10, 2010 at 2:55 AM, Jorgen Simonsen <jorgen589.gmail.com>wrote:

> 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.
> > > >
> > > >
> > > >
> > > >
> > > >
> > > > _______________________________________________
> > > > 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
> > >
> >
> >
> >
> > --
> > 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
>



-- 
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
Received on Tue Aug 10 2010 - 06:30:03 PDT
Custom Search