Hi,
On Tue, 7 Aug 2007, Kailee wrote:
> I tried to compile amber8 using mpich2, I have compiled amber8 with mpich1
> before without any error. And with mpich2, the serial part has been compiled
> and tested successfully, however, as I did the same as with mpich1, which
> is:
> export MPICH_HOME=/usr/bin
> ./configure -mpich ifort
> make parallel
>
> I got the following error message:
> IPO Error: unresolved : mpi_init_
> Referenced in sander.o
> IPO Error: unresolved : mpi_comm_rank_
> Referenced in sander.o
> Referenced in ew_force.o
> Referenced in ew_setup.o
> Referenced in ew_direct.o
> ew_direct.o(.text+0x3bec): In function `nonbond_list_':
> : undefined reference to `mpi_allreduce_'
> ew_direct.o(.text+0x3c05): In function `nonbond_list_':
> : undefined reference to `mpi_comm_rank_'
> ew_direct.o(.text+0x3c1e): In function `nonbond_list_':
> : undefined reference to `mpi_comm_size_'
> ew_direct.o(.text+0x3e04): In function `nonbond_list_':
> : undefined reference to `mpi_allreduce_'
> ew_recip.o(.text+0xb46): In function `do_pmesh_kspace_':
> : undefined reference to `mpi_barrier_'
> debug.o(.text+0xb181): In function `get_analfrc_':
> : undefined reference to `mpi_barrier_'
> debug.o(.text+0xb30e): In function `get_analfrc_':
> : undefined reference to `mpi_reduce_'
> debug.o(.text+0xb3a8): In function `get_analfrc_':
> : undefined reference to `mpi_reduce_'
> debug.o(.text+0xb959): In function `merge_forces_':
> : undefined reference to `mpi_reduce_'
> ew_dipole_recip.o(.text+0x6fa): In function `do_pmesh_dipole_kspace_':
> : undefined reference to `mpi_barrier_'
> ew_dipole_recip.o(.text+0x89d): In function `do_pmesh_dipole_kspace_':
> : undefined reference to `mpi_barrier_'
> ew_dipole_recip.o(.text+0xc32): In function `do_pmesh_dipole_kspace_':
> : undefined reference to `mpi_barrier_'
> mexit.o(.text+0x33): In function `mexit_':
> : undefined reference to `mpi_abort_'
> mexit.o(.text+0x5a): In function `mexit_':
> : undefined reference to `mpi_finalize_'
> new_time.o(.text+0x25a): In function `timer_barrier_':
> : undefined reference to `mpi_barrier_'
> new_time.o(.text+0x45e): In function `profile_time_':
> : undefined reference to `mpi_send_'
> new_time.o(.text+0x604): In function `profile_time_':
> : undefined reference to `mpi_recv_'
> make[1]: *** [sander] Error 1
> make[1]: Leaving directory `/home/hep/huilei/AMBER_2/amber8/src/sander'
> make: *** [parallel] Error 2
>
> By searching the amber archive, it's said this happens because mpich and the
> amber are compiled using different compilers, however mpich2 is compiled
> with ifort on my cluster, can anyone suggest why is this happening and how
> to solve the problem? Thank you very much.
All of the mpi routines are unresolved.
This is probably because the libraries for mpich2 are not getting
linked. Note that mpich2 was not an option in Amber 8.
You may be able to fix this by hand editing src/config.h
and changing FC to
$MPI_HOME/bin/mpif90
You may also need to tinker with LOADLIB.
If this does not work then
You need to include more detail in your message to determine
the cause; we need to know the invoked commands by make.
Scott
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Received on Sun Aug 12 2007 - 06:07:23 PDT
