[Wien] runsp_lapw error :malloc(): memory corruption: 0x00000000018bde90 ***

2011-12-22 Thread sufyan
Dears users, i am new user in wien2k community and i need your help ,i use the version WIEN11.1 on (opensuse, INTEL I5 64) first i run the example of TiC in the user guide and it works very well . but when i run my case i have: Commandline: runsp_lapw -i 560 -ec 0.0001 -cc 0.01 -NI

[Wien] runsp_lapw error :malloc(): memory corruption: 0x00000000018bde90 ***

2011-12-22 Thread Gavin Abo
Dear Sufyan, It might be a compiler/mkl problem. Most of the Intel Fortran composer xe compilers don't seem to work with Wien2k (they are giving runtime memory errors like you have reported). It looks like you are using Update 6: composer_xe_2011_sp1.6.233 Since you have an Intel processor,

[Wien] runsp_lapw error :malloc(): memory corruption: 0x00000000018bde90 ***

2011-12-22 Thread Laurence Marks
Pleaee go back and read the user guide, and run more of the examples. Also, there are some lecture notes from the Wien2k schools that will be useful. You have not setup your problem properly, and are asking for too small a convergence and too many iterations. I suspect that there are other things

[Wien] runsp_lapw error :malloc(): memory corruption: 0x00000000018bde90 ***

2011-12-22 Thread Maxim Rakitin
Dear all, As for Intel compilers/mkl, Update 4 of Intel Composer XE works fine with different WIEN2k versions (I tested it on 09.2 and 11.1). Dest regards, Maxim Rakitin SUSU, Chelyabinsk, Russia email: rms85 at physics.susu.ac.ru web: http://www.susu.ac.ru 22.12.2011 18:10,