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Posted: **Mon Jan 17, 2011 1:59 pm**

Dear all,

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!

Posted: **Wed Sep 04, 2024 12:30 pm**

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP

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Why VASP5.2 outputs repeatedly?

Why VASP5.2 outputs repeatedly?

Re: Why VASP5.2 outputs repeatedly?