[Pw_forum] Quantum Espresso installed, but examples not running

[Eyvaz Isaev]

Hi,

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.

Bests,
Eyvaz.  

-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com




________________________________
From: Alexander Eftimiades <alexeftimiades at gmail.com>
To: pw_forum at pwscf.org
Sent: Sat, September 11, 2010 8:15:31 PM
Subject: [Pw_forum] Quantum Espresso installed, but examples not running

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:
	1. 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.
	2. 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.


      
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