[Pw_forum] error when running bands.x

Keivan Esfarjani ke116 at rci.rutgers.edu
Thu Feb 20 23:37:19 CET 2014

I just installed espresso.5.0.2 along with its patch on my mac (single node 6-core installed with openmp option)
When running the tests, in example01, which is the band structure of silicon, I encountered the following problem:

This example shows how to use pw.x and postprocessing codes to make a
contour plot in the [110] plane of the charge density for Si, and to
plot the band structure of Si.

 executables directory: /Users/keivan/Q-ESPRESSO-5.0.2/espresso-5.0.2/bin
 pseudo directory:      /Users/keivan/Q-ESPRESSO-5.0.2/espresso-5.0.2/pseudo
 temporary directory:   /Users/keivan/tmp
 checking that needed directories and files exist... done

 running pw.x as:         /Users/keivan/Q-ESPRESSO-5.0.2/espresso-5.0.2/bin/pw.x  -nband 1 -ntg 1 
 running pp.x as:         /Users/keivan/Q-ESPRESSO-5.0.2/espresso-5.0.2/bin/pp.x  -nband 1 -ntg 1 
 running plotrho.x as:  /Users/keivan/Q-ESPRESSO-5.0.2/espresso-5.0.2/bin/plotrho.x
 running bands.x as:      /Users/keivan/Q-ESPRESSO-5.0.2/espresso-5.0.2/bin/bands.x  -nband 1 -ntg 1 
 running plotband.x as: /Users/keivan/Q-ESPRESSO-5.0.2/espresso-5.0.2/bin/plotband.x

 cleaning /Users/keivan/tmp... done
 running the scf calculation... done
 running pp.x to do a 2-d plot of the charge density... done
 running plotrho.x to generate rho.ps... done

 running pp.x to do another 2-d plot of the charge density... done
 generating si.charge.png... done
 generating contour plot of the charge si.contour.ps... done

 running the band-structure calculation for Si... done
 running the post-processing for band structure...
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0  0x10d97503e
#1  0x10d975774
#2  0x7fff81559909
#3  0x7fff84463748
#4  0x10d460bc0
#5  0x10d466b8a
#6  0x10d4290a7
#7  0x10d708c6e
./run_example: line 388: 86405 Segmentation fault: 11  $BANDS_COMMAND < si.bands.in > si.bands.out
Error condition encountered during test: exit status = 139

Any idea what might be wrong?
Thanks in advance,
Keivan Esfarjani
Department of Mechanical and Aerospace Engineering
Rutgers University
98 Brett Road, Piscataway, NJ 08854-8058
Office #B228, Engineering Bldg,
(848) 445-4759 [fax:(732) 445-3124]

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