[Pw_forum] Running Example 01 (Parallel Running on a single PC with 3 cores, AMD, LAM-MPI)

[Masoud Nahali]

Dear QE's Users

 

Sometimes the running of exapmle 01 stops !! and sometimes aborts because of MPI_INIT !! 

 

koa at linux-xd0f:~/QSPRESSO4.1.2/espresso-4.1.1-Example/examples/example01> ./run_example 

/home/koa/QSPRESSO4.1.2/espresso-4.1.1-Example/examples/example01 : starting

This example shows how to use pw.x to calculate the total energy and

the band structure of four simple systems: Si, Al, Cu, Ni.

executables directory: /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin

pseudo directory: /home/koa/QSPRESSO4.1.2/espresso-4.1.2/pseudo

temporary directory: /home/koa/tmp

checking that needed directories and files exist... done

running pw.x as: mpirun -np 3 /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin/pw.x -npool 1 -inp

running bands.x as: mpirun -np 3 /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin/bands.x -npool 1 -inp

cleaning /home/koa/tmp... done

running the scf calculation for Si...-----------------------------------------------------------------------------

The selected RPI failed to initialize during MPI_INIT. This is a

fatal error; I must abort.

This occurred on host linux-xd0f (n0).

The PID of failed process was 9075 (MPI_COMM_WORLD rank: 0)

 

or:

 

 

oa at linux-xd0f:~/QSPRESSO4.1.2/espresso-4.1.1-Example/examples/example01> ./run_example 

/home/koa/QSPRESSO4.1.2/espresso-4.1.1-Example/examples/example01 : starting

This example shows how to use pw.x to calculate the total energy and

the band structure of four simple systems: Si, Al, Cu, Ni.

executables directory: /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin

pseudo directory: /home/koa/QSPRESSO4.1.2/espresso-4.1.2/pseudo

temporary directory: /home/koa/tmp

checking that needed directories and files exist... done

running pw.x as: mpirun -np 3 /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin/pw.x -npool 1 -inp

running bands.x as: mpirun -np 3 /home/koa/QSPRESSO4.1.2/espresso-4.1.2/bin/bands.x -npool 1 -inp

cleaning /home/koa/tmp... done

running the scf calculation for Si...    ---> stops at this line

 

 

   using the -inp that is suggested by Paolo Giannozzi did not solve my problem.

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 !

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 

recognizes the 3 cores of a single PC or not ? I am comfused ! another amazing paradox is that once I ran this example.
 		 	   		  
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