[Wien] Fwd: error during DOS calculation

[shamik chakrabarti]

---------- 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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