[Wien] help WIENNCM error in lapw1c

郑君鼎 52181213006 at stu.ecnu.edu.cn
Thu Oct 17 07:37:00 CEST 2019


Dear Wien2k users and developers
I am using wienncm to do some non-collinear magnetic calculations. I have compiled wienncm successfully 
with intel mpiifort version 15.0.4 and mkl (composer_xe_2015.5.223), and I am able to run wien2k in 
both serial and parallel mode. But the  noncollinear calculations always crush at the lapw1 for wienncm.
 I tried to re-calculate the uo2_3k uo2_2k example in serial mode  
but got the following error:
*** Error in `/share/apps/WIEN2K/WIEN-NonCollinear/WIENNCM/lapw1c':
 free(): corrupted unsorted chunks: 0x00000000020ea060 ***
 I tried to re-calculate the febcc example, this example is successful. thisexample does not seem to use lapw1c. 
Such errors look similar to the  bug as shown in the following links:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16212.html
But I did not find the solution from the link.
Attached please see the full error reports . I would appreciate your help.
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