I've compiled vasp 5.2.11 on the server and tried to run a job. However, I print out a lot of mess info in the stdout. It seems to have some problems on the mpi program. The command to run vasp is:
/opt/openmpi-1.4.2-pgi/bin/mpirun -v "-mca btl tcp,sm,self" -np 16 /opt/vasp/bin/vasp52-pgi.openmpi > out
The stdout file shows like:
Code: Select all
running on 1 nodes
distr: one band on 1 nodes, 1 groups
running on 1 nodes
distr: one band on 1 nodes, 1 groups
running on 1 nodes
distr: one band on 1 nodes, 1 groups
running on 1 nodes
distr: one band on 1 nodes, 1 groups
running on 1 nodes
running on 1 nodes
distr: one band on 1 nodes, 1 groups
distr: one band on 1 nodes, 1 groups
running on 1 nodes
distr: one band on 1 nodes, 1 groups
running on 1 nodes
distr: one band on 1 nodes, 1 groups
vasp.5.2.11 25Nov10 complex
vasp.5.2.11 25Nov10 complex
vasp.5.2.11 25Nov10 complex
vasp.5.2.11 25Nov10 complex
vasp.5.2.11 25Nov10 complex
vasp.5.2.11 25Nov10 complex
vasp.5.2.11 25Nov10 complex
vasp.5.2.11 25Nov10 complex
POSCAR found type information on POSCAR C H O N
POSCAR found : 4 types and 56 ions
POSCAR found type information on POSCAR C H O N
POSCAR found : 4 types and 56 ions
POSCAR found type information on POSCAR C H O N
POSCAR found : 4 types and 56 ions
......
......
entering main loop
N E dE d eps ncg rms rms(c)
entering main loop
N E dE d eps ncg rms rms(c)
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.858489713545E+03 0.85849E+03 -0.74496E+04 7488 0.110E+03
DAV: 1 0.858489713545E+03 0.85849E+03 -0.74496E+04 7488 0.110E+03
DAV: 1 0.858489713545E+03 0.85849E+03 -0.74496E+04 7488 0.110E+03
DAV: 1 0.858489713545E+03 0.85849E+03 -0.74496E+04 7488 0.110E+03
DAV: 1 0.858489713545E+03 0.85849E+03 -0.74496E+04 7488 0.110E+03
DAV: 1 0.858489713545E+03 0.85849E+03 -0.74496E+04 7488 0.110E+03
DAV: 1 0.858489713545E+03 0.85849E+03 -0.74496E+04 7488 0.110E+03
......
......
Anybody know why the results output in parallel?
How can I solve this problem?
Thanks in advance!