ANINDITA GAYEN wrote:
Dear all,
Sorry for the former post without any subject.
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.
What command are you actually issuing to run mdrun_mpi? This sounds like more
of an MPI environment problem, not a Gromacs problem.
-Justin
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! Invite them now.
<http://in.rd.yahoo.com/tagline_messenger_6/*http://messenger.yahoo.com/invite/>
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
