Dear PWSCF users<br><br>Thanks for advising to install mpich. I installed mpich2 in my machine and the i ran the espresso-4.3_examples. Many programme were succesfully done but may came out with error.<br><br>Foe eg.<br>/home/Software/espresso-4.3_examples/examples/example14 : starting<br>
<br>This example shows how to use pw.x, ph.x and d3.x to calculate the<br>third-order expansion coefficients of the total energy of Si.<br><br> executables directory: /home/Software/espresso-4.3/bin<br> pseudo directory: /home/Software/pseudo<br>
temporary directory: ./tmp<br> checking that needed directories and files exist... done<br><br> running pw.x as: mpirun -np 4 /home/Software/espresso-4.3/bin/pw.x <br> running ph.x as: mpirun -np 4 /home/Software/espresso-4.3/bin/ph.x <br>
running d3.x as: mpirun -np 4 /home/Software/espresso-4.3/bin/d3.x <br><br> cleaning ./tmp... done<br> running the scf calculation for Si... done<br> running the phonon calculation for Si at Gamma...application called MPI_Abort(MPI_COMM_WORLD, 0) - process 1<br>
application called MPI_Abort(MPI_COMM_WORLD, 0) - process 3<br>application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0<br>Error condition encountered during test: exit status = 15<br>Aborting<br><br>many eg (15,18, ..) showed the same error. what can be the possible error.<br>
<br>thanks in advance<br><br>Vicky singh<br><br><div class="gmail_quote">2011/5/26 GAO Zhe <span dir="ltr"><<a href="mailto:flux_ray12@163.com">flux_ray12@163.com</a>></span><br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Installing OpenMPI or MPICH2 firstly, then you can compile parrallel version PWscf.<br>When you run it with multi-cores, using mpirun -n $CoreNum pw.x -npool $PoolNum<div><div></div><div class="h5"><br><div></div><br>At 2011-05-25 12:55:10，"vicky singh" <<a href="mailto:kirtinandan07@gmail.com" target="_blank">kirtinandan07@gmail.com</a>> wrote:<br>
<blockquote style="padding-left: 1ex; margin: 0px 0px 0px 0.8ex; border-left: 1px solid rgb(204, 204, 204);">Hi<br>I have recently got a new system with i5 processor. Since it has 4 processor how can i install QE such that i can run parallel processing. Documentation says just to use ./configure and make to be done for compiling. will these command when run will consider the system configuration and install parallel version.<br>
<br>Thanks for suggestion in advance.<br><br>Vicky singh<br>research student <br>Bangalore<br>
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<br></blockquote></div>D<br>