I hope I came to the right place to ask this question. I have compiled quantum espresso using this set of instructions: http://how-to.wikia.com/wiki/How_to_install_PWscf_on_a_Debian_or_Debian_based_operating_system
I made two modifications to these instructions: I installed version 4.2.1 and put the folder together using these instructions:http://qe-forge.org/frs/shownotes.php?release_id=64. These instructions did not say anything about "PLUMED" plugin so I did not download it. 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") I have openmpi installed but I only have one cpu at the moment (I intend to set up a network later.) Everything seemed to work ok so I tried to run one of the examples. I got this: /opt/espresso-4.2.1/examples/example08 : starting This example shows how to use pw.x to calculate the DOS of Ni. executables directory: /opt/espresso-4.2.1/bin pseudo directory: /opt/espresso-4.2.1/pseudo temporary directory: /tmp checking that needed directories and files exist... done running pw.x as: /opt/espresso-4.2.1/bin/pw.x running dos.x as: /opt/espresso-4.2.1/bin/dos.x running projwfc.x as: /opt/espresso-4.2.1/bin/projwfc.x running kvecs_FS.x as: /opt/espresso-4.2.1/bin/kvecs_FS.x running bands_FS.x as: /opt/espresso-4.2.1/bin/bands_FS.x cleaning /tmp... done running the scf calculation for Ni...[debian:13270] *** Process received signal *** [debian:13270] Signal: Segmentation fault (11) [debian:13270] Signal code: (128) [debian:13270] Failing at address: (nil) [debian:13270] [ 0] [0xb779040c] [debian:13270] [ 1] /usr/lib/libfftw3.so.3 [0xb6f30d5c] [debian:13270] [ 2] /usr/lib/libfftw3.so.3 [0xb6f30eca] [debian:13270] [ 3] /usr/lib/libfftw3.so.3 [0xb6f2e684] [debian:13270] [ 4] /usr/lib/libfftw3.so.3 [0xb6f33618] [debian:13270] [ 5] /usr/lib/libfftw3.so.3(dfftw_execute_dft_+0x5c) [0xb6fa6b7c] [debian:13270] [ 6] /opt/espresso-4.2.1/bin/ pw.x(__fft_scalar_MOD_cft_1z+0x912) [0x81d0b62] [debian:13270] [ 7] /opt/espresso-4.2.1/bin/ pw.x(__fft_parallel_MOD_tg_cft3s+0x7d3) [0x81ce9d3] [debian:13270] [ 8] /opt/espresso-4.2.1/bin/pw.x(cft3_+0x52) [0x807ccd2] [debian:13270] [ 9] /opt/espresso-4.2.1/bin/pw.x(interpolate_+0x408) [0x8176848] [debian:13270] [10] /opt/espresso-4.2.1/bin/pw.x(set_vrs_+0x145) [0x80f3c25] [debian:13270] [11] /opt/espresso-4.2.1/bin/pw.x(potinit_+0xc1d) [0x80cf10d] [debian:13270] [12] /opt/espresso-4.2.1/bin/pw.x(init_run_+0x44d) [0x809ceed] [debian:13270] [13] /opt/espresso-4.2.1/bin/pw.x(MAIN__+0xa2) [0x8074b82] [debian:13270] [14] /opt/espresso-4.2.1/bin/pw.x(main+0x39) [0x834acc9] [debian:13270] [15] /lib/i686/cmov/libc.so.6(__libc_start_main+0xe5) [0xb67d9455] [debian:13270] [16] /opt/espresso-4.2.1/bin/pw.x [0x8074a41] [debian:13270] *** End of error message *** ./run_example: line 174: 13270 Segmentation fault $PW_COMMAND < ni.scf.in > ni.scf.out Error condition encountered during test: exit status = 139 Aborting ---------rest of email continues here---------- 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. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100911/d4977c8c/attachment.htm
