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<p>Dear all,<br>
<br>
I've installed the last version of Quantum Espresso, i.e. 4.3.1, using a pgi/mvapich2 compiler. All tests are running fine except for the scf-nccp test. I got an energy of -11.827850 Ry instead of -15.839765 Ry and a pressure of 526.54 GPa instead of 54.09 GPa. I've performed several tests to get rid of this tremendous error and it turned out I was not able to reproduce that error with version 4.3 or lower (same compilation options - same architecture). I therefore strongly suspect a bug in version 4.3.1.<br>
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Regards<br>
Ludovic</body></html>