[AMBER] MPI install with openmpi

From: Makoto Chikira <chikira.kc.chuo-u.ac.jp>
Date: Sat, 5 Oct 2013 16:33:21 +0900

Dear All,

 

I am trying to install MPI version of Amber12 and AmberTool13.

"./configure_openmpi gnu" and "./configure -mpi gnu" looked normally
finished. However, "make install" resulted error messages, part of which are
listed below.

I am using CentOS6.4, openmpi-1.7.2, and gnu compiler.

I would appreciate receiving proper advice to solve this problem.

 

1-13-27, Kasuga, Bunkyo-ku, Tokyo 112-8551

Department of Applied Chemistry, Chuo University

M. Chikira

****************************

logy.o: In function `GetPrmTop':

Topology.c:(.text+0x84d0): undefined reference to `ompi_mpi_comm_world'

Topology.c:(.text+0x84d7): undefined reference to `ompi_mpi_int'

Topology.c:(.text+0x8524): undefined reference to `ompi_mpi_char'

Trajectory.o: In function `WriteDiagnostics':

Trajectory.c:(.text+0x3219): undefined reference to `ompi_mpi_int'

Trajectory.c:(.text+0x3220): undefined reference to `ompi_mpi_op_max'

Trajectory.c:(.text+0x32c8): undefined reference to `ompi_mpi_op_min'

Trajectory.c:(.text+0x32d2): undefined reference to `ompi_mpi_int'

Trajectory.c:(.text+0x3370): undefined reference to `ompi_mpi_op_max'

Trajectory.c:(.text+0x337a): undefined reference to `ompi_mpi_int'

Trajectory.c:(.text+0x3420): undefined reference to `ompi_mpi_op_min'

Trajectory.c:(.text+0x342a): undefined reference to `ompi_mpi_int'

Thermostats.o: In function `KineticEnergyTI':

Thermostats.c:(.text+0xd8a): undefined reference to `ompi_mpi_op_sum'

Thermostats.c:(.text+0xd96): undefined reference to `ompi_mpi_double'

Thermostats.o: In function `KineticEnergy':

Thermostats.c:(.text+0xf4f): undefined reference to `ompi_mpi_op_sum'

Thermostats.c:(.text+0xf5b): undefined reference to `ompi_mpi_double'

Barostats.o: In function `MonteCarloBarostat':

Barostats.c:(.text+0x166d): undefined reference to `ompi_mpi_double'

Integrator.o: In function `RemoveMomentumTI':

Integrator.c:(.text+0xd25): undefined reference to `ompi_mpi_op_su

===========================================

mdgx.c:(.text+0x159): undefined reference to `ompi_mpi_comm_world'

mdgx.c:(.text+0x160): undefined reference to `ompi_mpi_int'

mdgx.o: In function `main':

mdgx.c:(.text+0x2b0): undefined reference to `ompi_mpi_comm_world'

collect2: ld ended at status 1

make[2]: *** [/home/makoto/amber12/bin/mdgx.MPI] error 1

make[2]: get out of the directory `/home/makoto/amber12/AmberTools/src/mdgx'


make[1]: *** [parallel] error 2

make[1]: get out of the directory `/home/makoto/amber12/AmberTools/src'

make: *** [install] error 2

[makoto.lbcc5329 amber12]$ ^C

[makoto.lbcc5329 amber12]$

 

 

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Received on Sat Oct 05 2013 - 01:00:03 PDT
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