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Dear PWscf users<br><br>I just download the code and install it in our SGI-4700 without any warnning or error.<br><br>After that, I try to do the example-calculation (example01).<br><br>My machine is SGI-Altex-4700, so I change the the following line in the file of run_example <br>
<br>
$PW_COMMAND < si.scf.$diago.in > si.scf.$diago.out<br>
<br>
to <br>
<br>
$PARA_PREFIX $PW_COMMAND < si.scf.$diago.in > si.scf.$diago.out<br>
<br>
I set <br>
<br>
PARA_PREFIX="mpirun -np 12"<br>
<br>
After that, I type ./run_example<br>
I can see the following in the screen:<br>
<br>
<a href="mailto:xgwan@sgi4700:%7E/Quantum-Espresso/espresso-4.0.3/examples/example01">sgi4700:~/Quantum-Espresso/espresso-4.0.3/examples/example01</a>> ./run_example <br> <br>/disk2/Quantum-Espresso/espresso-4.0.3/examples/example01 : starting<br> <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> <br> executables directory: /disk2/Quantum-Espresso/espresso-4.0.3/bin<br> pseudo directory: /disk2/Quantum-Espresso/espresso-4.0.3/pseudo<br> temporary directory: /disk2/tmp<br> checking that needed directories and files exist... done<br> <br> running pw.x as: mpirun -np 12 /disk2/Quantum-Espresso/espresso-4.0.3/bin/pw.x -npool 4<br> running bands.x as: mpirun -np 12 /disk2/Quantum-Espresso/espresso-4.0.3/bin/bands.x -npool 4<br> <br> cleaning /disk2/xgwan/tmp... done<br> running the scf calculation for Si...<br> <br><br>
<br>
<br>
By using "top", I can find there are 12 pw.x. My machine take about 2 hours to finish this simple calculation. It is quite strange! <br>I compare the my output and the data saved in referece-directory, it shows that my result, like total energy, is right comparing with the referenced data.<br><br>Attached pleased find my output data.<br><br>I will appreciate if someone can kindly tell me the possible reason for it. <br><br>Thanks<br><br>XW<br><br /><hr />八卦娱乐包打听，MSN资讯速递帮你忙！ <a href='http://im.live.cn/newsexpress' target='_new'>了解详细！</a></body>
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