[Wien] write_win mistake
0.0 0.75000 0.37500 0.0 0.87500 0.37500 0.0 1.0 0.37500 0.12500 0.0 0.37500 0.12500 0.12500 0.37500 0.12500 0.25000 0.37500 0.12500 0.37500 0.37500 0.12500 0.5 0.37500 0.12500 0.62500 0.37500 0.12500 0.75000 0.37500 0.12500 0.87500 0.37500 0.12500 1.0 0.37500 0.25000 0.0 0.37500 0.25000 0.12500 0.37500 0.25000 0.25000 0.37500 0.25000 0.37500 0.37500 0.25000 0.5 0.37500 0.25000 0.62500 0.37500 0.25000 0.75000 0.37500 0.25000 0.87500 0.37500 0.25000 1.0 0.37500 0.37500 0.0 0.37500 0.37500 0.12500 0.37500 0.37500 0.25000 0.37500 0.37500 0.37500 0.37500 0.37500 0.5 0.37500 0.37500 0.62500 0.37500 0.37500 0.75000 0.37500 0.37500 0.87500 0.37500 0.37500 1.0 0.37500 0.5 0.0 0.37500 0.5 0.12500 0.37500 0.5 0.25000 0.37500 0.5 0.37500 0.37500 0.5 0.5 0.37500 0.5 0.62500 0.37500 0.5 0.75000 0.37500 0.5 0.87500 0.37500 0.5 1.0 0.37500 0.62500 0.0 0.37500 0.62500 0.12500 0.37500 0.62500 0.25000 0.37500 0.62500 0.37500 0.37500 0.62500 0.5 0.37500 0.62500 0.62500 0.37500 0.62500 0.75000 0.37500 0.62500 0.87500 0.37500 0.62500 1.0 0.37500 0.75000 0.0 0.37500 0.75000 0.12500 0.37500 0.75000 0.25000 0.37500 0.75000 0.37500 0.37500 0.75000 0.5 0.37500 0.75000 0.62500 0.37500 0.75000 0.75000 0.37500 0.75000 0.87500 0.37500 0.75000 1.0 0.37500 0.87500 0.0 0.37500 0.87500 0.12500 0.37500 0.87500 0.25000 0.37500 0.87500 0.37500 0.37500 0.87500 0.5 0.37500 0.87500 0.62500 0.37500 0.87500 0.75000 0.37500 0.87500 0.87500 0.37500 0.87500 1.0 0.37500 1.0 0.0 0.37500 1.0 0.12500 0.37500 1.0 0.25000 0.37500 1.0 0.37500 0.37500 1.0 0.5 0.37500 1.0 0.62500 0.37500 1.0 0.75000 0.37500 1.0 0.87500 0.37500 1.0 1.0 0.5 0.0 0.0 0.5 0.0 0.12500 0.5 0.0 0.25000 0.5 0.0 0.37500 0.5 0.0 0.5 0.5 0.12500 0.0 0.5 0.12500 0.12500 0.5 0.12500 0.25000 0.5 0.12500 0.37500 0.5 0.12500 0.5 0.5 0.12500 0.62500 0.5 0.12500 0.75000 0.5 0.12500 0.87500 0.5 0.12500 1.0 0.5 0.25000 0.0 0.5 0.25000 0.12500 0.5 0.25000 0.25000 0.5 0.25000 0.37500 0.5 0.25000 0.5 0.5 0.25000 0.62500 0.5 0.25000 0.75000 0.5 0.25000 0.87500 0.5 0.25000 1.0 0.5 0.37500 0.0 0.5 0.37500 0.12500 0.5 0.37500 0.25000 0.5 0.37500 0.37500 0.5 0.37500 0.5 0.5 0.37500 0.62500 0.5 0.37500 0.75000 0.5 0.37500 0.87500 0.5 0.37500 1.0 0.5 0.5 0.0 0.5 0.5 0.12500 0.5 0.5 0.25000 0.5 0.5 0.37500 0.5 0.5 0.5 end kpoints Would you please help me solving this problem? If I should give more information tell me please. Thanks in advance Ge Zhi-qi Physics Department, hebei University, China Email: gzqdyouxiang at 163.com Tel/Fax Office: +86-5079560 Tel Lab.: +86-5079560 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110711/2904d7bf/attachment.htm
[Wien] error showing : libmkl_intel_lp64.so: cannot open shared object file
Dear Wien2k users, I was running a calculation for a 56 atom unit cell. It has run for 130 iterations so far, but after that due to power failure the system got shut down. When we want to start the calculation from where it ends, we have chosen the run anyway option. But then it stopped showing the following error: /home/shamik81/WIEN2k/lapw0: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory stop error Although the shared libraries are at its proper place (in intel64/lib/mkl) it is showing the above error. As wien2k has been compiled properly and has already run for 130 iterations without any trouble what is the cause for such an error? We are using composerxe-2011.4.191 compiler and wien2k 11 for our calculation We are not able to figure out the reason of such an error and can not move any further. Any response in this regard will be highly appreciated. with regards, -- Shamik Chakrabarti Research Scholar Dept. of Physics Meteorology Material Processing Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110711/1fef0013/attachment.htm
