[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
Aborting
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]
http://rci.rutgers.edu/~ke116
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