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 Don? 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 Don? 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
