[Wien] subject: 1) error in scf mixer in wien 2k.12 2) problem in giving path by x-crysden

[Krisna Swaroop Sharma]

Dear Prof. Blaha
I am facing two problems:
1) I have installed WIEN 2K12 on INTEL-LENOVO laptop using ubantu as
OPerating software by using input as prescribed in the user guide. No error
was observed during installation. However on using it for TiC problem it
works fine for struct gen, view structure and initialization, however on
running scf cycle in first run lapw0, lapw1, lapw2  and lcore run but it
gives error in mixer and stops. Error message- is as given below:

*** glibc detected *** /root/Desktop/wien2k12/mixer: malloc(): memory
corruption: 0x09b12008 ***
======= Backtrace: =========
[0x816e1ef]
[0x816f87e]
[0x8171406]
[0x814393f]
[0x8146286]
[0x81361a0]
[0x8049d4d]
[0x8057401]
[0x8048a54]
[0x8158c51]
[0x8048ced]
======= Memory map: ========
08048000-08202000 r-xp 00000000 08:05 8666853    /root/Desktop/wien2k12/mixer
08202000-08204000 rw-p 001b9000 08:05 8666853    /root/Desktop/wien2k12/mixer
08204000-082ba000 rw-p 00000000 00:00 0
09adb000-09b40000 rw-p 00000000 00:00 0          [heap]
40000000-40001000 r-xp 00000000 00:00 0          [vdso]
40001000-40343000 rw-p 00000000 00:00 0
40400000-40421000 rw-p 00000000 00:00 0
40421000-40500000 ---p 00000000 00:00 0
bfd07000-bfd29000 rw-p 00000000 00:00 0          [stack]

>   stop error
Calculating TiC in /root/WIEN2k/TiC
on server-Lenovo-IdeaPad-S400 with PID 21284
using WIEN2k_12.1 (Release 22/7/2012) in /root/Desktop/wien2k12


    start 	(Fri Jun  7 04:47:15 IST 2013) with lapw0 (40/99 to go)

    cycle 1 	(Fri Jun  7 04:47:15 IST 2013) 	(40/99 to go)

>   lapw0 	(04:47:15) 8.7u 0.0s 0:08.82 99.7% 0+0k 256+440io 1pf+0w
>   lapw1     	(04:47:24) 2.8u 0.3s 0:03.15 99.6% 0+0k 0+2952io 0pf+0w
>   lapw2     	(04:47:27) 1.7u 0.0s 0:01.79 100.0% 0+0k 0+480io 0pf+0w
>   lcore	(04:47:29) 0.0u 0.0s 0:00.03 100.0% 0+0k 0+240io 0pf+0w
>   mixer	(04:47:29) Aborted
0.0u 0.0s 0:00.03 66.6% 0+0k 0+8io 0pf+0w
error: command   /root/Desktop/wien2k12/mixer mixer.def   failed

 Can you help me how to get rid of this problem and make WIEN 2K 12 working.

2) While working on WIEN2K10 it has been observed that when
we give path using x-crysden for bannd structure calculcation,
it does not accept and give the message that for path with x-crysden
x-windows system required. It give band structure with internal path
 but not with path given by us. How to install x-windows system or
give path.

I will feel obliged for necessary guidance in the matter.

Sincerely Yours,

K. S. Sharma

The IIS University, Jaipur, India
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