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Dear QE's Users<BR>
<BR>
Sometimes the running of exapmle 01 stops !! and sometimes aborts because of <SPAN lang=EN>MPI_INIT !! <BR>
<BR><SPAN lang=EN>
koa@linux-xd0f:~/QSPRESSO4.1.2/espresso-4.1.1-Example/examples/example01> ./run_example <BR>
/home/koa/QSPRESSO4.1.2/espresso-4.1.1-Example/examples/example01 : starting<BR>
This example shows how to use pw.x to calculate the total energy and<BR>
the band structure of four simple systems: Si, Al, Cu, Ni.<BR>
executables directory: /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin<BR>
pseudo directory: /home/koa/QSPRESSO4.1.2/espresso-4.1.2/pseudo<BR>
temporary directory: /home/koa/tmp<BR>
checking that needed directories and files exist... done<BR>
running pw.x as: mpirun -np 3 /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin/pw.x -npool 1 -inp<BR>
running bands.x as: mpirun -np 3 /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin/bands.x -npool 1 -inp<BR>
cleaning /home/koa/tmp... done<BR>
running the scf calculation for Si...-----------------------------------------------------------------------------<BR>
The selected RPI failed to initialize during MPI_INIT. This is a<BR>
fatal error; I must abort.<BR>
This occurred on host linux-xd0f (n0).<BR>
The PID of failed process was 9075 (MPI_COMM_WORLD rank: 0)<BR>
<BR>
or:<BR>
<BR>
<BR><SPAN lang=EN>
oa@linux-xd0f:~/QSPRESSO4.1.2/espresso-4.1.1-Example/examples/example01> ./run_example <BR>
/home/koa/QSPRESSO4.1.2/espresso-4.1.1-Example/examples/example01 : starting<BR>
This example shows how to use pw.x to calculate the total energy and<BR>
the band structure of four simple systems: Si, Al, Cu, Ni.<BR>
executables directory: /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin<BR>
pseudo directory: /home/koa/QSPRESSO4.1.2/espresso-4.1.2/pseudo<BR>
temporary directory: /home/koa/tmp<BR>
checking that needed directories and files exist... done<BR>
running pw.x as: mpirun -np 3 /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin/pw.x -npool 1 -inp<BR>
running bands.x as: mpirun -np 3 /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin/bands.x -npool 1 -inp<BR>
cleaning /home/koa/tmp... done<BR>
running the scf calculation for Si... ---> stops at this line<BR>
<BR>
<BR>
using the -inp that is suggested by <SPAN lang=EN>Paolo Giannozzi did not solve my problem.</SPAN><BR>
<SPAN lang=EN>I have tested my mpif77 and mpicc and I think that they works well , but I feel that the problem is related to the MPI !</SPAN><BR>
<SPAN lang=EN>but I can not find it. My QE has been compiled well by mpif77 and all binaries created well. I am not sure that LAM-MPI </SPAN><BR>
<SPAN lang=EN>recognizes the 3 cores of a single PC or not ? I am comfused ! another amazing paradox is that once I ran this example.<BR></SPAN></SPAN></SPAN></SPAN> <br /><hr />Hotmail: Powerful Free email with security by Microsoft. <a href='https://signup.live.com/signup.aspx?id=60969' target='_new'>Get it now.</a></body>
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