[Pw_forum] QE 5.1 SIGABRT GWW

Axel Kohlmeyer akohlmey at gmail.com
Wed Apr 9 09:14:13 CEST 2014


On Wed, Apr 9, 2014 at 8:38 AM, Lorenzo Donà <lorechimica91 at hotmail.it> wrote:
> Dear Professor excuse me for the answer but what is the svn version??

have you heard of a website called google?

sticking "quantum espresso svn" into it gives as the first hit this:
http://www.qe-forge.org/gf/project/q-e/scmsvn/?action=AccessInfo

i am *certain* that there is also information about it and more
background information on the quantum espresso home page.

axel.

> I have also an other problem I am not able to compile QHA with gfortran.
> I found this error:
> MacBook-Pro-di-Lorenzo-Dona:Al lorenzodona$ cd
> /Users/lorenzodona/Documents/espresso-5.0.99/QHA/Examples/Al/
> MacBook-Pro-di-Lorenzo-Dona:Al lorenzodona$ Run_Me
> ****** input tetrahedra for BZ-integration ******
>    4   1  12
>   0.000000  0.000000  0.000000
>   0.500000  0.500000  0.500000
>   0.500000  0.000000  0.000000
>   0.500000  0.500000  0.000000
> ****** input tetrahedra for BZ-integration ******
> ********************** generate_tetra *********************
>   NT0=           1  NTETMX=        1728
>     0.0000   0.5000   0.5000   0.5000
>     0.0000   0.5000   0.0000   0.5000
>     0.0000   0.5000   0.0000   0.0000
>     1.0000   1.0000   1.0000   1.0000
>   volume of tetrahedron =  0.02083
>   total volume of BZ is =   0.0208  omg48=  96.0000
> ****************** end of generate_tetra ******************
>  Recalculating omega(q) from C(R)
> At line 44 of file Partial_phonon_DOS.f90 (unit = 9, file = 'matdyn.modes')
> Fortran runtime error: Bad value during floating point read
>  natoms==           4
>  irec====         168
>   0.75000000000000000
>  Al1 Al2
> It seems you have imaginary frequences.\                       Hopefully you
> know what you are doing
>  nstep====         446
>   153.7215  153.7215  153.7223
>   145.6765  155.2405  155.2451
>   153.6642  153.6642  153.6645
>   150.1399  150.1485  157.9149
>   137.3023  159.5947  159.6110
>   145.7365  155.1528  155.1576
>   141.9176  153.1774  160.8602
>   153.4544  153.4545  153.4553
>   150.1386  150.1470  157.7811
>   147.2314  147.2462  162.6442
>   128.6174  158.9711  166.1367
>  E_min=   0.0000000000000000         E_max=   319.81650000000002
>  nstep====         446
> ****** input tetrahedra for BZ-integration ******
>    4   1  12
>   0.000000  0.000000  0.000000
>   0.500000  0.500000  0.500000
>   0.500000  0.000000  0.000000
>   0.500000  0.500000  0.000000
> ****** input tetrahedra for BZ-integration ******
> ********************** generate_tetra *********************
>   NT0=           1  NTETMX=        1728
>     0.0000   0.5000   0.5000   0.5000
>     0.0000   0.5000   0.0000   0.5000
>     0.0000   0.5000   0.0000   0.0000
>     1.0000   1.0000   1.0000   1.0000
>   volume of tetrahedron =  0.02083
>   total volume of BZ is =   0.0208  omg48=  96.0000
> ****************** end of generate_tetra ******************
>  before integration:  E_min=   0.0000000000000000         E_max=
> 319.81650000000002
> At line 72 of file Integration.f (unit = 21, file = 'partial_DOS')
> Fortran runtime error: Non-existing record number
> At line 58 of file Atom_projected_properties.f90 (unit = 9, file =
> 'projected.DOS')
> Fortran runtime error: End of file
> At line 71 of file Mean_square_displacement.f90 (unit = 1, file =
> 'projected_DOS.Al1')
> Fortran runtime error: End of file
> mv: rename Displacements to Displacements.Al1: No such file or directory
> At line 58 of file Atom_projected_properties.f90 (unit = 9, file =
> 'projected.DOS')
> Fortran runtime error: End of file
> At line 71 of file Mean_square_displacement.f90 (unit = 1, file =
> 'projected_DOS.Al2')
> Fortran runtime error: End of file
> mv: rename Displacements to Displacements.Al2: No such file or directory
> At line 58 of file Atom_projected_properties.f90 (unit = 9, file =
> 'projected.DOS')
> Fortran runtime error: End of file
> At line 71 of file Mean_square_displacement.f90 (unit = 1, file =
> 'projected_DOS.Al3')
> Fortran runtime error: End of file
> mv: rename Displacements to Displacements.Al3: No such file or directory
> At line 58 of file Atom_projected_properties.f90 (unit = 9, file =
> 'projected.DOS')
> Fortran runtime error: End of file
> At line 71 of file Mean_square_displacement.f90 (unit = 1, file =
> 'projected_DOS.Al4')
> Fortran runtime error: End of file
> mv: rename Displacements to Displacements.Al4: No such file or directory
>  ndiv from file ===         446
>  ndiv===           0
>     5.00    0.00000000    0.00000000    0.00000000    0.00000000
>    10.00    0.00000000    0.00000000    0.00000000    0.00000000
>    15.00    0.00000000    0.00000000    0.00000000    0.00000000
>    20.00    0.00000000    0.00000000    0.00000000    0.00000000
>    25.00    0.00000000    0.00000000    0.00000000    0.00000000
>    30.00    0.00000000    0.00000000    0.00000000    0.00000000
>    35.00    0.00000000    0.00000000    0.00000000    0.00000000
>    40.00    0.00000000    0.00000000    0.00000000    0.00000000
>    45.00    0.00000000    0.00000000    0.00000000    0.00000000
>    50.00    0.00000000    0.00000000    0.00000000    0.00000000
>    55.00    0.00000000    0.00000000    0.00000000    0.00000000
>    60.00    0.00000000    0.00000000    0.00000000    0.00000000
>    65.00    0.00000000    0.00000000    0.00000000    0.00000000
>    70.00    0.00000000    0.00000000    0.00000000    0.00000000
>    75.00    0.00000000    0.00000000    0.00000000    0.00000000
>    80.00    0.00000000    0.00000000    0.00000000    0.00000000
>    85.00    0.00000000    0.00000000    0.00000000    0.00000000
>    90.00    0.00000000    0.00000000    0.00000000    0.00000000
>    95.00    0.00000000    0.00000000    0.00000000    0.00000000
>   100.00    0.00000000    0.00000000    0.00000000    0.00000000
>   105.00    0.00000000    0.00000000    0.00000000    0.00000000
>   110.00    0.00000000    0.00000000    0.00000000    0.00000000
>   115.00    0.00000000    0.00000000    0.00000000    0.00000000
>   120.00    0.00000000    0.00000000    0.00000000    0.00000000
>   125.00    0.00000000    0.00000000    0.00000000    0.00000000
>   130.00    0.00000000    0.00000000    0.00000000    0.00000000
>   135.00    0.00000000    0.00000000    0.00000000    0.00000000
>   140.00    0.00000000    0.00000000    0.00000000    0.00000000
>   145.00    0.00000000    0.00000000    0.00000000    0.00000000
>   150.00    0.00000000    0.00000000    0.00000000    0.00000000
>   155.00    0.00000000    0.00000000    0.00000000    0.00000000
>   160.00    0.00000000    0.00000000    0.00000000    0.00000000
>   165.00    0.00000000    0.00000000    0.00000000    0.00000000
>   170.00    0.00000000    0.00000000    0.00000000    0.00000000
>   175.00    0.00000000    0.00000000    0.00000000    0.00000000
>   180.00    0.00000000    0.00000000    0.00000000    0.00000000
>   185.00    0.00000000    0.00000000    0.00000000    0.00000000
>   190.00    0.00000000    0.00000000    0.00000000    0.00000000
>   195.00    0.00000000    0.00000000    0.00000000    0.00000000
>   200.00    0.00000000    0.00000000    0.00000000    0.00000000
>   205.00    0.00000000    0.00000000    0.00000000    0.00000000
>   210.00    0.00000000    0.00000000    0.00000000    0.00000000
>   215.00    0.00000000    0.00000000    0.00000000    0.00000000
>   220.00    0.00000000    0.00000000    0.00000000    0.00000000
>   225.00    0.00000000    0.00000000    0.00000000    0.00000000
>   230.00    0.00000000    0.00000000    0.00000000    0.00000000
>   235.00    0.00000000    0.00000000    0.00000000    0.00000000
>   240.00    0.00000000    0.00000000    0.00000000    0.00000000
>   245.00    0.00000000    0.00000000    0.00000000    0.00000000
>   250.00    0.00000000    0.00000000    0.00000000    0.00000000
>   255.00    0.00000000    0.00000000    0.00000000    0.00000000
>   260.00    0.00000000    0.00000000    0.00000000    0.00000000
>   265.00    0.00000000    0.00000000    0.00000000    0.00000000
>   270.00    0.00000000    0.00000000    0.00000000    0.00000000
>   275.00    0.00000000    0.00000000    0.00000000    0.00000000
>   280.00    0.00000000    0.00000000    0.00000000    0.00000000
>   285.00    0.00000000    0.00000000    0.00000000    0.00000000
>   290.00    0.00000000    0.00000000    0.00000000    0.00000000
>   295.00    0.00000000    0.00000000    0.00000000    0.00000000
>   300.00    0.00000000    0.00000000    0.00000000    0.00000000
>   305.00    0.00000000    0.00000000    0.00000000    0.00000000
>   310.00    0.00000000    0.00000000    0.00000000    0.00000000
>   315.00    0.00000000    0.00000000    0.00000000    0.00000000
>   320.00    0.00000000    0.00000000    0.00000000    0.00000000
>   325.00    0.00000000    0.00000000    0.00000000    0.00000000
>   330.00    0.00000000    0.00000000    0.00000000    0.00000000
>   335.00    0.00000000    0.00000000    0.00000000    0.00000000
>   340.00    0.00000000    0.00000000    0.00000000    0.00000000
>   345.00    0.00000000    0.00000000    0.00000000    0.00000000
>   350.00    0.00000000    0.00000000    0.00000000    0.00000000
>   355.00    0.00000000    0.00000000    0.00000000    0.00000000
>   360.00    0.00000000    0.00000000    0.00000000    0.00000000
>   365.00    0.00000000    0.00000000    0.00000000    0.00000000
>   370.00    0.00000000    0.00000000    0.00000000    0.00000000
>   375.00    0.00000000    0.00000000    0.00000000    0.00000000
>   380.00    0.00000000    0.00000000    0.00000000    0.00000000
>   385.00    0.00000000    0.00000000    0.00000000    0.00000000
>   390.00    0.00000000    0.00000000    0.00000000    0.00000000
>   395.00    0.00000000    0.00000000    0.00000000    0.00000000
>   400.00    0.00000000    0.00000000    0.00000000    0.00000000
>   405.00    0.00000000    0.00000000    0.00000000    0.00000000
>   410.00    0.00000000    0.00000000    0.00000000    0.00000000
>   415.00    0.00000000    0.00000000    0.00000000    0.00000000
>   420.00    0.00000000    0.00000000    0.00000000    0.00000000
>   425.00    0.00000000    0.00000000    0.00000000    0.00000000
>   430.00    0.00000000    0.00000000    0.00000000    0.00000000
>   435.00    0.00000000    0.00000000    0.00000000    0.00000000
>   440.00    0.00000000    0.00000000    0.00000000    0.00000000
>   445.00    0.00000000    0.00000000    0.00000000    0.00000000
>   450.00    0.00000000    0.00000000    0.00000000    0.00000000
>   455.00    0.00000000    0.00000000    0.00000000    0.00000000
>   460.00    0.00000000    0.00000000    0.00000000    0.00000000
>   465.00    0.00000000    0.00000000    0.00000000    0.00000000
>   470.00    0.00000000    0.00000000    0.00000000    0.00000000
>   475.00    0.00000000    0.00000000    0.00000000    0.00000000
>   480.00    0.00000000    0.00000000    0.00000000    0.00000000
>   485.00    0.00000000    0.00000000    0.00000000    0.00000000
>   490.00    0.00000000    0.00000000    0.00000000    0.00000000
>   495.00    0.00000000    0.00000000    0.00000000    0.00000000
>   500.00    0.00000000    0.00000000    0.00000000    0.00000000
> Phonon DOS and Quasiharmonic calculations have finished.
> Now you can analyse these data using Gnuplot or xmgrace
> Enjoy!
> Can you help me to solve this problem??
> I compiled QHA with gfortran and delete -static in every makefile
> Thanks for your patience with me.
> dearly lorenzo
> Il giorno 09/apr/2014, alle ore 08:05, Paolo Giannozzi
> <paolo.giannozzi at uniud.it> ha scritto:
>
> On Tue, 2014-04-08 at 21:51 +0200, Lorenzo Donà wrote:
>
> Dear QE users i installed QE 5.1
>
>
> there is no such version (yet). There is a pre-release so that
> expert users and developers can fix bugs before the release.
> Please verify if the error is still present in the svn version.
>
> P.
>
> on mac 10.9.2
> I run the tests and found no problem but i tried to run the example in
> GWW and found an error in every examples:
>
>
> MacBook-Pro-di-Lorenzo-Dona:example02 lorenzodona$ run_example
>
>
> /Users/lorenzodona/Documents/espresso-5.0.99/GWW/examples/example02 :
> starting
>
>
> This example shows how to use pw.x head.x pw4gww.x gww. x to calculate
> the GW QP levels of bulk Si
>
>
>  executables
> directory: /Users/lorenzodona/Documents/espresso-5.0.99/bin
>  pseudo directory:
>  /Users/lorenzodona/Documents/espresso-5.0.99/pseudo
>  temporary directory:
>  /Users/lorenzodona/Documents/espresso-5.0.99/tempdir
>  checking that needed directories and files exist...
> Downloading Si.pz-vbc.UPF
> to /Users/lorenzodona/Documents/espresso-5.0.99/pseudo... done
>
>
>  running pw.x as:
>  /Users/lorenzodona/Documents/espresso-5.0.99/bin/pw.x
>
>
>
>
>  running pw.x as:
>  /Users/lorenzodona/Documents/espresso-5.0.99/bin/head.x
>
>
>
>
>  running pw4gww.x as:
>  /Users/lorenzodona/Documents/espresso-5.0.99/bin/pw4gww.x
>
>
>
>
>  running gww.x as:
>  /Users/lorenzodona/Documents/espresso-5.0.99/bin/gww.x
>
>
>  running the scf calculation for Si... done
>  running the head calculation for Si... done
>  running the nscf calculation for Si... done
>  running the pw4gww calculation for Si... done
>  running the gww calculation for Si...gww.x(31401,0x7fff7dbe2310)
> malloc: *** error for object 0x7f964404d208: incorrect checksum for
> freed object - object was probably modified after being freed.
> *** set a breakpoint in malloc_error_break to debug
>
>
> Program received signal SIGABRT: Process abort signal.
>
>
> Backtrace for this error:
> #0  0x10fd6b70d
> #1  0x10fd6bc1b
> #2  0x7fff989795a9
> ./run_example: line 240: 31401 Abort trap: 6           $GWW_COMMAND <
> si_gww.in > si_gww.out
> Error condition encountered during test: exit status = 134
> Aborting
>
>
> can you help me to solve this problem??
> thanks to help me and for your patience with me
> dearly lorenzo
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> _______________________________________________
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum



-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.




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