[Pw_forum] QE 5.1 SIGABRT GWW
Paolo Giannozzi
paolo.giannozzi at uniud.it
Wed Apr 9 09:53:54 CEST 2014
On Wed, 2014-04-09 at 08:38 +0200, Lorenzo Donà wrote:
> I have also an other problem I am not able to compile QHA with
> gfortran.
> I found this error:
it's an execution error, not a compilation error.
P.
> 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
>
>
> _______________________________________________
> 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
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