Dear Wien2k users and developers,

I am using wienncm to do some non-collinear magnetic calculations.  I have
compiled both wien2k 17.1 and wienncm successfully, and I am able to run
in both serial and parallel mode. But the noncollinear calculations always
crush at the lapw1 level for wienncm. To be specific, I tried to
re-calculate the uo2_3k example in serial mode on a cluster with ifort
compiler and mkl libraries (version 2013_sp1.2.144), but got the following

*** glibc detected *** /home/jpliu/WIENNCM/lapw1c: free(): corrupted
unsorted chunks: 0x0000000002516ea0

I did the same calculation with wienncm on a different cluster on which a
different version of ifort and mkl (composer_xe_2015.2.164) is installed.
Again, the code is compiled without any error report, and wien2k runs
perfectly, but wienncm crushes at the lapw1 step with the following error
*** glibc detected *** /home/jpliu/WIENNCM/lapw1c: double free or
corruption (out): 0x00000000012afaf0 ***

Such errors look similar to the "blocksize" bug as shown in the following
But I am not sure. May it is due to the incompatibility between wien2k 17.1
and wienncm?

Attached please see the full error reports (error1 and error2). I would
appreciate your help.


Attachment: error1
Description: Binary data

Attachment: error2
Description: Binary data

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