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<p style="margin-bottom: 0in;">Dear all,<br>
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.........<br><b>make
distclean</b><br><b>./configure --enable-float --enable-mpi
--prefix=/home/x --program-suffix=_mpi</b><br><b>make mdrun -j 4</b><br><b>make
install-mdrun</b><br>[ i have installed fftw with
--prefix=/home/x/fftw-3.2.1 and in .bashrc include .......<br>
export CPPFLAGS=-I/home/x/fftw-3.2.1/include<br> export
LDFFLAGS=-L/home/x/fftw-3.2.1/lib]<br>grmmacs installation run
successfully.<br>But when i run <br>mdrun_mpi ..................i got
the message "Can't read MPIRUN_MPD" and the mdrun_mpi
program does not run.<br>Any suggestion regarding this problem will
be highly acceptable.<br>thanks in advance,</p>
<br>
<br>Ms. Anindita Gayen<br>
C/O Dr. Chaitali Mukhopadhyay<br>Senior Research Fellow<br>
Department of Chemistry<br>
University of Calcutta<br>
92, A. P. C. Road<br>
Kolkata-700 009<br>
India</td></tr></table><br>
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