AMBER: pmemd install error

From: Ji-Lai Li <>
Date: Mon, 22 Jan 2007 22:59:27 -0800

Dear Users:
   I can't install PMEMD in my machine: Linux x86_64. The MPI is openmpi,
and the environment variable was set to:
##Open MPI
setenv MPI_HOME /home/mds/progpack/openmpi-1.1.3/build/
setenv MPI_INCLUDE /home/mds/progpack/openmpi-1.1.3/build/include
setenv PATH /home/mds/progpack/openmpi-1.1.3/build/bin:$PATH
setenv LD_LIBRARY_PATH /home/mds/progpack/openmpi-1.1.3
setenv MPILIB "-L$LD_LIBRARY_PATH -lmpich"

when I type in /home/mds/amber9/src/pmemd/
./configure linux_em64t ifort mpich
make install

it prompts:
ifort -c -auto -tpp7 -xW -ip -O3 parallel_dat.f90
fortcom: Error: parallel_dat.f90, line 96: Cannot open include file '
      include 'mpif-common.h'
fortcom: Error: parallel_dat.f90, line 227: This name does not have a type,
and must have an explicit type. [MPI_COMM_WORLD]
    call mpi_abort(mpi_comm_world, i, err_ret_code)
compilation aborted for parallel_dat.f90 (code 1)
make[1]: *** [parallel_dat.o] Error 1
make[1]: Leaving directory `/home/mds/amber9/src/pmemd/src'
make: *** [install] Error 2

I confirmed the include file 'mpif-common.h' in /home/mds/progpack/openmpi-

Does anyone know what I"m doing wrong?

Ji-Lai Li
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Received on Wed Jan 24 2007 - 06:07:34 PST
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