<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Hi,<br><br>Usually "Segmentation fault" tells about insufficient memory problem, but it might be due to a compiler/lib error. I can start pw.x on my Ubuntu 10.04 (in fact, Debian-based, and quite buggy) with gfortran.<br><br>Bests,<br>Eyvaz. <br><div>-------------------------------------------------------------------<br></div>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span
style="font-weight: bold;">From:</span></b> Alexander Eftimiades <alexeftimiades@gmail.com><br><b><span style="font-weight: bold;">To:</span></b> pw_forum@pwscf.org<br><b><span style="font-weight: bold;">Sent:</span></b> Sat, September 11, 2010 8:15:31 PM<br><b><span style="font-weight: bold;">Subject:</span></b> [Pw_forum] Quantum Espresso installed, but examples not running<br></font><br>
I hope I came to the right place to ask this question. I have compiled quantum espresso using this set of instructions:<div><span><a target="_blank" href="http://how-to.wikia.com/wiki/How_to_install_PWscf_on_a_Debian_or_Debian_based_operating_system">http://how-to.wikia.com/wiki/How_to_install_PWscf_on_a_Debian_or_Debian_based_operating_system</a></span></div><div><br></div><div>I made two modifications to these instructions:</div><ol class="MailOutline"><li><span>I installed version 4.2.1 and put the folder together using these instructions:<a target="_blank" href="http://qe-forge.org/frs/shownotes.php?release_id=64">http://qe-forge.org/frs/shownotes.php?release_id=64</a>. These instructions did not say anything about "PLUMED" plugin so I did not download it.</span></li><li>I have gfortran installed so I did not do the first part of the instructions (although I later tried to install g95 using the link provided and it kept saying "authentication
failed")</li></ol><div><br></div><div>I have openmpi installed but I only have one cpu at the moment (I intend to set up a network later.) </div><div><br></div><div>Everything seemed to work ok so I tried to run one of the examples. I got this:</div><div><br></div><div><br>/opt/espresso-4.2.1/examples/example08 : starting<br><br>This example shows how to use pw.x to calculate the DOS of Ni.<br><br> executables directory: /opt/espresso-4.2.1/bin<br> pseudo directory: /opt/espresso-4.2.1/pseudo<br> temporary directory: /tmp<br> checking that needed directories and files exist... done<br><br> running pw.x as: /opt/espresso-4.2.1/bin/pw.x <br> running dos.x as: /opt/espresso-4.2.1/bin/dos.x <br> running projwfc.x as: /opt/espresso-4.2.1/bin/projwfc.x <br> running kvecs_FS.x
as: /opt/espresso-4.2.1/bin/kvecs_FS.x <br> running bands_FS.x as: /opt/espresso-4.2.1/bin/bands_FS.x <br><br> cleaning /tmp... done<br> running the scf calculation for Ni...[debian:13270] *** Process received signal ***<br>[debian:13270] Signal: Segmentation fault (11)<br>[debian:13270] Signal code: (128)<br>[debian:13270] Failing at address: (nil)<br>[debian:13270] [ 0] [0xb779040c]<br>[debian:13270] [ 1] /usr/lib/libfftw3.so.3 [0xb6f30d5c]<br>[debian:13270] [ 2] /usr/lib/libfftw3.so.3 [0xb6f30eca]<br>[debian:13270] [ 3] /usr/lib/libfftw3.so.3 [0xb6f2e684]<br>[debian:13270] [ 4] /usr/lib/libfftw3.so.3 [0xb6f33618]<br>[debian:13270] [ 5] /usr/lib/libfftw3.so.3(dfftw_execute_dft_+0x5c) [0xb6fa6b7c]<br>[debian:13270] [ 6] /opt/espresso-4.2.1/bin/pw.x(__fft_scalar_MOD_cft_1z+0x912) [0x81d0b62]<br>[debian:13270] [ 7] /opt/espresso-4.2.1/bin/pw.x(__fft_parallel_MOD_tg_cft3s+0x7d3) [0x81ce9d3]<br>[debian:13270] [
8] /opt/espresso-4.2.1/bin/pw.x(cft3_+0x52) [0x807ccd2]<br>[debian:13270] [ 9] /opt/espresso-4.2.1/bin/pw.x(interpolate_+0x408) [0x8176848]<br>[debian:13270] [10] /opt/espresso-4.2.1/bin/pw.x(set_vrs_+0x145) [0x80f3c25]<br>[debian:13270] [11] /opt/espresso-4.2.1/bin/pw.x(potinit_+0xc1d) [0x80cf10d]<br>[debian:13270] [12] /opt/espresso-4.2.1/bin/pw.x(init_run_+0x44d) [0x809ceed]<br>[debian:13270] [13] /opt/espresso-4.2.1/bin/pw.x(MAIN__+0xa2) [0x8074b82]<br>[debian:13270] [14] /opt/espresso-4.2.1/bin/pw.x(main+0x39) [0x834acc9]<br>[debian:13270] [15] /lib/i686/cmov/libc.so.6(__libc_start_main+0xe5) [0xb67d9455]<br>[debian:13270] [16] /opt/espresso-4.2.1/bin/pw.x [0x8074a41]<br>[debian:13270] *** End of error message ***<br>./run_example: line 174: 13270 Segmentation fault $PW_COMMAND < <a rel="nofollow" target="_blank" href="http://ni.scf.in/">ni.scf.in</a> > ni.scf.out<br>Error condition encountered during
test: exit status = 139<br>Aborting<br></div><div><br></div><div><b><i>---------rest of email continues here----------</i></b></div><div><b><i><br></i></b></div><div>Similar messages come up for other examples. Could someone please tell me what is going on? And--yes I read the user manual instructions (and yes chapter 2). If there is a pointer in there I missed please tell me.</div></div></div>
</div><br>
</body></html>