[gmx-users] (no subject)
aninditagayen at yahoo.co.in
Fri Mar 6 14:02:08 CET 2009
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.........
../configure --enable-float --enable-mpi
make mdrun -j 4
[ i have installed fftw with
--prefix=/home/x/fftw-3.2.1 and in .bashrc include .......
grmmacs installation run
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
Add more friends to your messenger and enjoy! Go to http://messenger.yahoo.com/invite/
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users