[Wien] Fwd: error during DOS calculation

Ramkumar Thapa r.k.thapa at gmail.com
Tue May 31 19:01:20 CEST 2011


Dear Shamik,
Pl. check with the type of your processor-----32/64 bit??Accordingly you
will have to do set up in OPTIONS.
Best wishes
R.K.Thapa
=================

2011/5/31 shamik chakrabarti <shamikphy at gmail.com>

>
>
> ---------- Forwarded message ----------
> From: shamik chakrabarti <shamikphy at gmail.com>
> Date: Sun, May 29, 2011 at 10:03 PM
> Subject: error during DOS calculation
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>
>
> Dear wien2k users,
>
>                          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:
> 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
>
>
>
> --
> Shamik Chakrabarti
> Research Scholar
> Dept. of Physics & Meteorology
> Material Processing & Solid State Ionics Lab
> IIT Kharagpur
> Kharagpur 721302
> INDIA
>
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> Wien mailing list
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> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
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