Dear Professor Paulatto, Thank you for your reply but this is to the case.
When I execute the pp.x (or band calculation) with *ifort* *10.1* _on several nodes_ it says /pp.x: error while loading shared libraries: libmpi.so.3.2: cannot open shared object file: No such file or directory/ whereas /ldd pp.x/ gives /libmpi.so.3.2 => /opt/intel/impi/3.1/lib64/libmpi.so.3.2 (0x00002ba86f2c6000)/ But when I run it on the head node only I get /from postproc : error # 1 reading inputpp namelist/ and /from read_rho_xml : error # 1 cannot open ./SCF/vc-relax_tetragonal.save/charge-density.dat file for reading/ For some reasons the contents of SCF directory is not accessible, I do a chmod -R ugo+xwr ./SCF. This is differently with this machine since it works well on my desktop (with gfortran 4.4.4). I'll figure out. Thank you, ?ric. On 10/12/2011 12:05 PM, Lorenzo Paulatto wrote: > On Wed, 12 Oct 2011 17:43:44 +0200, ?ric Germaneau<germaneau at gucas.ac.cn> > wrote: >> I recently got the error bellow when running band calculation >> (calculation = 'band' and pw.x) : >> >> /# FROM IOTK LIBRARY, VERSION 1.2.0 > This error can also be caused by a band calculation when > restart_mode='restart'; see the bug tracker for details > (http://qe-forge.org/tracker/?atid=133&group_id=10&func=browse). > > If this is your case, the simpler solution is to remove restart_mode from > the band calculation input > > bests > > -- /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/20111013/f115f310/attachment.htm