[Pw_forum] QE 5.1 SIGABRT GWW

[Lorenzo Donà]

Thanks Professor I post the answer for QHA on pw forum.
Thanks again for your patience with me
Dearly lorenzo
Il giorno 09/apr/2014, alle ore 13:13, Paolo Giannozzi <paolo.giannozzi at uniud.it> ha scritto:

> On Wed, 2014-04-09 at 11:56 +0200, Lorenzo Donà wrote:
> 
>> Dear Professor GWW in the svn version of QE is working without problems.
>> But i have the same problem in QHA that in espresso 5.0.2 I didn’t found.
>> how can i solve it??
> 
> as mentioned several times, QHA is unfortunately unmaintained, and will
> stay so until somebody who uses it starts to take care of it. Will you?
> 
> Whenever an error occurs, the first step is invariably to locate where 
> the first error occurs; then, figure out why it occurs; then, how to
> prevent it from occurring. Had you done that, you would have noticed
> that the first error arises when code "Partial_phonon_DO" (actually
> Partial_phonon_DOS.x, the last 3 characters are truncated) reads file
> "matdyn.modes", and it looks like a format problem. In fact it is
> sufficient to change line 44 of file Partial_phonon_DOS.f from
>        read(9,'(11X, I2, 3X,F15.6,8X,f15.6,8X)') nmode,omega_THz,
> omega_cm
> to
>        read(9,'(11X, I5, 3X,F15.6,8X,f15.6,8X)') nmode,omega_THz,
> omega_cm
> and recompile. Unfortunately the way QHA is written makes it very 
> easily broken by any change in file formats.
> 
> Don't count of me for more QHA problems, though.
> 
> P.
> 
>> dearly lorenzo thanks for your patience
>> 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
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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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