[Wien] Errors in WIENNCM

[Jianpeng Liu]

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
wien2k
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
error:

*** 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
message:
*** 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
link:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2015-March/022545.html
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.

Jianpeng
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170804/2b949dac/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: error1
Type: application/octet-stream
Size: 6602 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170804/2b949dac/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: error2
Type: application/octet-stream
Size: 10063 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170804/2b949dac/attachment-0001.obj>