[gmx-users] (no subject)

[ANINDITA GAYEN]

Dear all,
           
I want to install gromacs in parallel version. I already have the
normal version of gromacs and i want an MPI version of mdrun. The
commands i have used are as followed.........
make
distclean
../configure --enable-float --enable-mpi
--prefix=/home/x --program-suffix=_mpi
make mdrun -j 4
make
install-mdrun
[ i have installed fftw with
--prefix=/home/x/fftw-3.2.1 and in .bashrc include .......
  
export CPPFLAGS=-I/home/x/fftw-3.2.1/include
   export
LDFFLAGS=-L/home/x/fftw-3.2.1/lib]
grmmacs installation run
successfully.
But when i run 
mdrun_mpi ..................i got
the message  "Can't read MPIRUN_MPD" and the mdrun_mpi
program does not run.
Any suggestion regarding this problem will
be highly acceptable.
thanks in advance,



Ms. Anindita Gayen

C/O Dr. Chaitali Mukhopadhyay
Senior Research Fellow

Department of Chemistry

University of Calcutta

92, A. P. C. Road

Kolkata-700 009

India


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