[gmx-users] Error in running parallel GROMACS

quanta at chem.unipune.ernet.in quanta at chem.unipune.ernet.in
Sat Jan 29 06:18:36 CET 2005

Hi all,

I am getting some problem in running parallel GROMACS.
I have made the .tpr file for four nodes using grompp as
/usr/local/bin/i686-pc-linux-gnu/bin/grompp_d -f $1.mdp -c $1.gro -p
$1.top -o $1.tpr -v -np $2
However, during mdrun its giving error in reading the .tpr file, which I
am unable to understand. It writes output as:

Getting Loaded...
Reading file cappr.tpr, VERSION 3.2.1 (double precision)
Fatal error: 0: size=996, len=1032, rx_count=0

p1_1811:  p4_error: : -1
[1] MPI Abort by user Aborting program !
[1] Aborting program!
    p4_error: latest msg from perror: No such file or directory
 /usr/bin/mpirun: line 1: 15277 Broken pipe
/usr/local/bin/i686-pc-linux-gnu/bin/mdrun_d "-np" "2" "-s" "cappr.tpr"
 "-o" "cappr.trr" "-c" "cappr.gro" "-g" "cappr.log" "-v" "-N" "2" -p4pg
/home/quanta/nfs/gromacs/PI15197 -p4wd /home/quanta/nfs/gromacs

so, what could be the problem? Can some one help me?
Thanks in advance..

best wishes,


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