[Pw_forum] Parallel Running the Example 01 (Stop !!!!)

[Masoud Nahali]

Dear Quantum Espresso Users

 

I have installed parallel Quantum Espresso successfully and tried to run the exapmle 01. 

at first I tried to run the example 01 from the root but the program did't run and then I went out of the root for running (this is the proposed by the QE). the first problem solved by going out of the root. Once I could run the example 01 but amazingly I cannot now !!. when I run the exaplme 01 the program stopped at this line:

 

running the scf calculation for Si...        and did not continue

 

and any CPU's did not work and there is not any results.

My system is AMD (3 cores) and LAM-MPI works well. but I think that the problem is related to lam ! since at first time that I tried QE aked me to boot the lam by lamboot and I do to continue. and it is so interesting that I runned once and cleaned the temporary but again I can not !!!

 

this is the lines :

 

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

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

cleaning /home/koa/tmp... done

running the scf calculation for Si...

 

Your Help is a Good Gift to Me, Many Thanks

 

Masoud Nahali

Sharif University of Technology

Physical Chemistry

 

  
 		 	   		  
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