[Pw_forum] QE 5.1 SIGABRT GWW
Lori 91 aaaaaa
lorechimica91 at hotmail.it
Wed Apr 9 10:09:35 CEST 2014
Dear Professor how can I solve it??
Because i just rum the example found in QHA
Thanks for your patience
Dearly Lorenzo
Inviato da iPhone
> Il giorno 09/apr/2014, alle ore 10:02, "Paolo Giannozzi" <paolo.giannozzi at uniud.it> ha scritto:
>
>> 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
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
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