Dear all, This seems to be solved by our system administrator. He just made some space on the storage server.
?ric. On 10/10/2011 02:55 PM, ?ric Germaneau wrote: > Dear all, > > After recompiling QE 4.3.2 with ifort 9.1 and mkl 8.1.1 I got an other > error : > > from davcio : error # 99 > error while writing to file > > This looks so weird to me. > Thank you, > > ?ric. > > On 10/07/2011 12:18 PM, ?ric Germaneau wrote: >> Dear Sanjeev, >> >> Thank you for noticed it. >> I've just ask to the administrator the compile it with ifort. >> We'll see. >> >> ?ric. >> >> On 10/06/2011 11:49 PM, Sanjeev Gupta wrote: >>> Dear ?ric Germaneau >>> >>> Please follow the recent link of "problem in vc-relax", there is >>> something same problem (If i understood correctly), Prof. Paolo >>> Giannozzi suggested that, this is Gfortran problem. >>> >>> Thanks >>> >>> Sanjeev >>> >>> >>> 2011/10/7 ?ric Germaneau <germaneau at gucas.ac.cn >>> <mailto:germaneau at gucas.ac.cn>> >>> >>> Dear all, >>> >>> Can someone tell me the meaning of the error >>> >>> from calbec : error # 1 >>> size mismatch >>> >>> when running ph.x. >>> >>> Thank you, >>> >>> ?ric. >>> >>> >>> On 10/05/2011 08:45 AM, ?ric Germaneau wrote: >>>> Dear all, >>>> >>>> I'm attempting to compute phonon at gamma point of a 2x2x2 >>>> crystal structure but I get the error bellow : >>>> >>>> *.....* >>>> Atomic displacements: >>>> There are 192 irreducible representations >>>> >>>> Representation 1 1 modes - To be done >>>> >>>> Representation 2 1 modes - To be done >>>> *....* >>>> Representation 191 1 modes - To be done >>>> >>>> Representation 192 1 modes - To be done >>>> >>>> >>>> Alpha used in Ewald sum = 2.8000 >>>> PHONON : 51m 2.98s CPU 51m13.49s WALL >>>> >>>> >>>> Electric Fields Calculation >>>> >>>> >>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >>>> from calbec : error # 1 >>>> size mismatch >>>> >>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >>>> >>>> stopping ... >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> Signal 15 received. >>>> >>>> Here is my input >>>> >>>> phonons >>>> &inputph >>>> tr2_ph=1.0d-14, >>>> prefix='S007__086_B4N4.vcrelax.vcrelax_2x2x2', >>>> epsil=.true., >>>> amass(1)=10.811000, >>>> amass(2)=14.006700, >>>> outdir='./SCF_PH', >>>> fildyn='S007__086_B4N4.vcrelax.vcrelax_2x2x2.dynG', >>>> / >>>> 0.0 0.0 0.0 >>>> >>>> What sounds weird to me is that I don't have any problem when I >>>> perform the same calculation on the unit cell, I mean the 1x1x1 >>>> structure. >>>> Before running ph.x I do a regular scf calculation at gamma >>>> point only which ends normally: >>>> >>>> K_POINTS automatic >>>> 1 1 1 0 0 0 >>>> >>>> I generate my supercell from the optimized unit cell and do not >>>> optimized it again due to time consuming. >>>> I don't have much experience in phonon calculations so any hits >>>> are welcome. >>>> Thank you, >>>> >>>> ?ric. >>>> >>>> -- >>>> /Be the change you wish to see in the world >>>> / --- Mahatma Gandhi --- >>>> >>>> Dr. ?ric Germaneau >>>> <http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986> >>>> >>>> Graduate University of Chinese Academy of Sciences >>>> College of Physical Sciences >>>> Yuquan Road 19A >>>> Beijing 100049 >>>> China >>>> >>>> /Please, if possible, don't send me MS Word or PowerPoint >>>> attachments >>>> Why? See: http://www.gnu.org/philosophy/no-word-attachments.html / >>>> >>>> >>>> >>>> _______________________________________________ >>>> Pw_forum mailing list >>>> Pw_forum at pwscf.org <mailto:Pw_forum at pwscf.org> >>>> http://www.democritos.it/mailman/listinfo/pw_forum >>> >>> -- >>> /Be the change you wish to see in the world >>> / --- Mahatma Gandhi --- >>> >>> Dr. ?ric Germaneau >>> <http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986> >>> >>> Graduate University of Chinese Academy of Sciences >>> College of Physical Sciences >>> Yuquan Road 19A >>> Beijing 100049 >>> China >>> >>> /Please, if possible, don't send me MS Word or PowerPoint >>> attachments >>> Why? See: http://www.gnu.org/philosophy/no-word-attachments.html / >>> >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> Pw_forum at pwscf.org <mailto:Pw_forum at pwscf.org> >>> http://www.democritos.it/mailman/listinfo/pw_forum >>> >>> >>> >>> >>> -- >>> *Dr. Sanjeev Kumar Gupta* >>> *Post Doctoral Fellow, >>> /(Ministry of New and Renewable Energy/) >>> Department of Physics, >>> Bhavnagar University, Bhavnagar-364 022 >>> Gujarat, India* >>> >>> >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> Pw_forum at pwscf.org >>> http://www.democritos.it/mailman/listinfo/pw_forum >> >> -- >> /Be the change you wish to see in the world >> / --- Mahatma Gandhi --- >> >> Dr. ?ric Germaneau >> <http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986> >> >> Graduate University of Chinese Academy of Sciences >> College of Physical Sciences >> Yuquan Road 19A >> Beijing 100049 >> China >> >> /Please, if possible, don't send me MS Word or PowerPoint attachments >> Why? See: http://www.gnu.org/philosophy/no-word-attachments.html / >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum > > -- > /Be the change you wish to see in the world > / --- Mahatma Gandhi --- > > Dr. ?ric Germaneau > <http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986> > > Graduate University of Chinese Academy of Sciences > College of Physical Sciences > Yuquan Road 19A > Beijing 100049 > China > > /Please, if possible, don't send me MS Word or PowerPoint attachments > Why? See: http://www.gnu.org/philosophy/no-word-attachments.html / > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- /Be the change you wish to see in the world / --- Mahatma Gandhi --- Dr. ?ric Germaneau <http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986> Graduate University of Chinese Academy of Sciences College of Physical Sciences Yuquan Road 19A Beijing 100049 China /Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html / -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111012/8d156a3c/attachment-0001.htm