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
Add more friends to your messenger and enjoy! Go to
http://messenger.yahoo.com/invite/_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
