<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><P style="MARGIN-BOTTOM: 0in">Dear all,</DIV>
<P style="MARGIN-BOTTOM: 0in"> Sorry for the former post without any subject.<BR> I want to install <SPAN>gromacs</SPAN> 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,</DIV><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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