[Pw_forum] Anyone used QE on raspberry pi?
Dear users, Is there anyone who can tell me about performance of QE on raspberry pi boards? I came across a link where an economical supercomputer was built using raspberry pi.. I guess they used type B model. How is the performance of QE when launched from a sd card? Looking for a healthy discussion on this topic. Regards, -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140716/f97d8ef3/attachment.html
[Pw_forum] The corresponding WZ mode of the Phonons frequencies obtained???
Dear quantum esspresso developers, I have calculated phonon frequencies of the AlSb on the wurtzite structure at the G,K points of hight symmetry, i obtained these frequencies at G 0.00 0.00 0.00 47.02 47.02 151.73 310.79 310.79 316.32 319.33 328.36 335.35and k 81.04 83.45 89.83 90.68 129.95 138.88 294.87 299.38 300.65 302.13 305.12 316.96 My problem is that i dont know how to attribute these frequencies to their corresponding Wurtzite modes (A1(LO),E1(LO), A1(TO),E1(TO), E2hetc). To be more clear for example the frequency 328.36 corresponds to which modeI'll be you so grateful if you help. regardsNh Ben. -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140716/453091e3/attachment.html
[Pw_forum] Fwd: problem with running ./run_all_examples in PHonon/examples folder
Dear all, I have a problem with running examples in the PHonon folder using ./run_all_examples command although the same command works well when doing it for PW examples. There must be something special with the way ph.x runs... I have Mac 10.8.5 and QE 5.0.2, which was installed without any errors just with couple warnings. The examples I was running are in its PHonon/examples folder. I would be grateful to you for your help. May be my installation of QE lacks something... Thank you Please see the beginning of my log below: alexey-sorokin:examples admin$ ./run_all_examples run_all_examples: starting /Applications/Quantum_ESPRESSO/espresso-5.0.2/PHonon/examples/example01 : starting This example shows how to use pw.x and ph.x to calculate phonon frequencies at Gamma and X for Si and C in the diamond structure and for fcc-Ni. executables directory: /Applications/Quantum_ESPRESSO/espresso-5.0.2/bin pseudo directory: /Applications/Quantum_ESPRESSO/espresso-5.0.2/pseudo temporary directory: /Users/admin/tmp checking that needed directories and files exist... done running pw.x as: /Applications/Quantum_ESPRESSO/espresso-5.0.2/bin/pw.x -nband 1 -ntg 1 running ph.x as: /Applications/Quantum_ESPRESSO/espresso-5.0.2/bin/ph.x -nband 1 -ntg 1 cleaning /Users/admin/tmp... done running the scf calculation for Si... done running the phonon calculation at Gamma for Si... Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x104991f92 #1 0x10499275e #2 0x7fff8b4e3909 #3 0x7fff90aabd15 #4 0x10343a3c4 #5 0x103486d78 #6 0x10343b353 #7 0x103445170 #8 0x1033edc3e #9 0x1033ce55e #10 0x1037eeb0e example01/run_example: line 140: 16360 Segmentation fault: 11 $PH_COMMAND < si.phG.in > si.phG.out done running the phonon calculation at X for Si... Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x105ad2f92 #1 0x105ad375e #2 0x7fff8b4e3909 #3 0x7fff90aabd15 #4 0x1045aba21 #5 0x104583901 #6 0x10450d5a6 #7 0x10492db0e example01/run_example: line 156: 16366 Segmentation fault: 11 $PH_COMMAND < si.phX.in > si.phX.out Error condition encountered during test: exit status = 139 Aborting -- Best regards, Anna -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140716/19391c0c/attachment.html
