[Wien] error during DOS calculation

[Peter Blaha]

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
-----------------------------------------