Did you try to repeat part of the calculations ? x lapw1 -up x lapw1 -dn
x lapw2 -up -qtl x lapw2 -dn -qtl Am 05.06.2011 06:56, schrieb shamik chakrabarti: > Dear wien2k users, > We have written about this problem before. We are > still facing the error. Any help in this regard will be very helpful for us. > > We have run one spin polarize calculation on > FeCrVAl. After completion of SCF cycle when we tried to plot DOS we got the > following error message:: > > /usr/local/Wien2K/lapw2c: /opt/intel/mkl/10.2.1.017/lib/em64t/libiomp5.so > <http://10.2.1.15/lib/em64t/libiomp5.so>: no version information available > (required by > /usr/local/Wien2K/lapw2c) > forrtl: severe (67): input statement requires too much data, unit 10, file > /home/sudhir/wien_computes/FeCr1VAl_SP/./FeCr1VAl_SP.vectorup > Image PC Routine Line Source > lapw2c 00000000005121ED Unknown Unknown Unknown > lapw2c 0000000000510CF5 Unknown Unknown Unknown > lapw2c 00000000004BCC89 Unknown Unknown Unknown > lapw2c 000000000047970D Unknown Unknown Unknown > lapw2c 0000000000478F5A Unknown Unknown Unknown > lapw2c 0000000000494377 Unknown Unknown Unknown > lapw2c 000000000049205A Unknown Unknown Unknown > lapw2c 000000000046B112 read_vec_ 152 > read_vec_tmp_.F > lapw2c 000000000044A324 l2main_ 508 > l2main_tmp_.F > lapw2c 000000000045CF4E MAIN__ 543 > lapw2_tmp_.F > lapw2c 000000000040359C Unknown Unknown Unknown > libc.so.6 0000003343E1EA4D Unknown Unknown Unknown > lapw2c 0000000000403499 Unknown Unknown Unknown > 0.238u 0.186s 0:00.39 105.1% 0+0k 0+4288io 0pf+0w > error: command /usr/local/Wien2K/lapw2c uplapw2.def failed > > Only in this calculation this error is appearing. We have also calculated > FeMnVAl and in that case no errors appeared during DOS calculation. Any > response in this regard > will be very helpful for us. Thank you in advance. > > with regards, > > -- > Shamik Chakrabarti > Research Scholar > Dept. of Physics & Meteorology > Material Processing & Solid State Ionics Lab > IIT Kharagpur > Kharagpur 721302 > INDIA > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pblaha at theochem.tuwien.ac.at -----------------------------------------
