AMBER Archive (2008)

Subject: AMBER: problem to compile PMEMD?

From: fatima.chami_at_durham.ac.uk
Date: Tue Jan 29 2008 - 16:45:41 CST

Dear Amber's users,

I configured PMEMD but failed to install it !!
I tried both nopar and mpich and got the same error

any help !
thanks
fatima

-------------------------------------------------------------

 ./configure linux64_opteron ifort nopar
Intel ifort compiler found; version information:
Version 9.0
Use Intel MKL? (better performance) (answer yes or no):
no
File config_data/fft.pubfft being used...
File config_data/linux64_opteron.ifort being used...
File config_data/interconnect.nopar being used...
PMEMD Configurate successfully completed.
hamilton [x86_64.linux] 78% make install
.....
pmemd.f90:(.text+0x58): undefined reference to `mpi_init_'
pmemd.f90:(.text+0x6e): undefined reference to `mpi_comm_rank_'
pmemd.f90:(.text+0x84): undefined reference to `mpi_comm_size_'
pmemd.f90:(.text+0x9a): undefined reference to `mpi_comm_group_'
pmemd.f90:(.text+0x6ca): undefined reference to `mpi_bcast_'
nmr_calls.o: In function `nmr_calls_mod_mp_bcast_nmr_dat_':
nmr_calls.f90:(.text+0x37f): undefined reference to `mpi_bcast_'
nmr_calls.f90:(.text+0x3a6): undefined reference to `mpi_bcast_'
nmr_calls.f90:(.text+0x5f8): undefined reference to `mpi_bcast_'
nmr_calls.f90:(.text+0x621): undefined reference to `mpi_bcast_'
ene_frc_splines.o:ene_frc_splines.f90:(.text+0x1e0): more undefined references
to `mpi_bcast_' follow
make[1]: *** [pmemd] Error 1
make[1]: Leaving directory `/data/hamilton/dch1fc/amber/amber9/src/pmemd/src'
make: *** [install] Error 2
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