[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
>
>
> _______________________________________________
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>
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
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>
>
>
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--
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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