Dear amber users,
I have been attempting to compile a parallel version of amber 8 (mpich) on a dual Xeon cluster using ifort as my compiler. The serial version compiles with now problems but when i attempt to compile the parallel version it starts ok then end with a many errors concerning an undefined reference, the last part of the list is shown below.
The config.h was made using the following command and i have attached my config.h;
./configure -mpich ifort
debug.o(.text+0xde07): In function `force_dump_':
: undefined reference to `mpi_reduce_'
debug.o(.text+0xdea3): In function `force_dump_':
: undefined reference to `mpi_reduce_'
ew_dipole_recip.o(.text+0x6b0): In function `do_pmesh_dipole_kspace_':
: undefined reference to `mpi_barrier_'
ew_dipole_recip.o(.text+0x836): In function `do_pmesh_dipole_kspace_':
: undefined reference to `mpi_barrier_'
ew_dipole_recip.o(.text+0xb93): In function `do_pmesh_dipole_kspace_':
: undefined reference to `mpi_barrier_'
mexit.o(.text+0x28): In function `mexit_':
: undefined reference to `mpi_abort_'
mexit.o(.text+0x4e): In function `mexit_':
: undefined reference to `mpi_finalize_'
new_time.o(.text+0x20c): In function `timer_barrier_':
: undefined reference to `mpi_barrier_'
new_time.o(.text+0x6d0): In function `profile_time_':
: undefined reference to `mpi_send_'
new_time.o(.text+0xae7): In function `profile_time_':
: undefined reference to `mpi_recv_'
make[1]: *** [sander] Error 1
make[1]: Leaving directory `/home/filer2/bcm/sjw084/amber8_MPI/amber8/src/sander'
make: *** [parallel] Error 2
If anyone could advise me i would be most grateful.
Many regards
simon
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Received on Fri Apr 14 2006 - 03:25:45 PDT
