[Wien] Problems observed in run scf cycles

Fri Feb 10 05:04:05 CET 2012

Dear wien users,
First of all I would like to inform that I am trying to install wien2k in
intel processor 5 (i5) HP Laptop. In the meantime, I have tried to
installed wien2k 08, 09, 10 in pc. For the compiler, I have provided the
latest version. Although when providing the proper path, when I run the
program after completing initialization, I use to get the error messages as
given below.
Do I need to edit bashrc file as well as the option file of wien2k with
some particular commands for this compiler (composer_xe_2011_sp1.8.273).
Please kindly let me know whether the steps used by me are correct. If not,
please guide me how to install it.
Thank you in advance for your kind help
>   stop error

bfedd000-bff01000 rw-p 00000000 00:00 0          [stack]
43621000-43700000 ---p 00000000 00:00 0
43600000-43621000 rw-p 00000000 00:00 0
43521000-43600000 ---p 00000000 00:00 0
43500000-43521000 rw-p 00000000 00:00 0
4321f000-4341f000 rw-p 00000000 00:00 0
4321e000-4321f000 ---p 00000000 00:00 0
4301c000-4321e000 rw-p 00000000 00:00 0
42fae000-4301c000 rw-p 0160a000 08:07 1461393
/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/ia32/libmkl_p4m3.so
419a4000-42fae000 r-xp 00000000 08:07 1461393
/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/ia32/libmkl_p4m3.so
4173a000-41843000 rw-p 00000000 00:00 0
41737000-4173a000 rw-p 00051000 08:07 1441842
/opt/intel/composer_xe_2011_sp1.8.273/compiler/lib/ia32/libintlc.so.5
416e5000-41737000 r-xp 00000000 08:07 1441842
/opt/intel/composer_xe_2011_sp1.8.273/compiler/lib/ia32/libintlc.so.5
416e4000-416e5000 rw-p 00000000 00:00 0
416de000-416e4000 rw-p 0058e000 08:07 1441850
/opt/intel/composer_xe_2011_sp1.8.273/compiler/lib/ia32/libsvml.so
4114f000-416de000 r-xp 00000000 08:07 1441850
/opt/intel/composer_xe_2011_sp1.8.273/compiler/lib/ia32/libsvml.so
4113e000-4114f000 rw-p 00000000 00:00 0
4113d000-4113e000 ---p 00000000 00:00 0
4110e000-4113d000 rw-p 00000000 00:00 0
41107000-4110e000 rw-p 000a5000 08:07 1441843
/opt/intel/composer_xe_2011_sp1.8.273/compiler/lib/ia32/libiomp5.so
41061000-41107000 r-xp 00000000 08:07 1441843
/opt/intel/composer_xe_2011_sp1.8.273/compiler/lib/ia32/libiomp5.so
41056000-41061000 rw-p 00000000 00:00 0
4104d000-41056000 rw-p 007a4000 08:07 1461385
/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/ia32/libmkl_core.so
408a8000-4104d000 r-xp 00000000 08:07 1461385
/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/ia32/libmkl_core.so
408a6000-408a8000 rw-p 00000000 00:00 0
40804000-408a6000 rw-p 004c9000 08:07 1461390
/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/ia32/libmkl_intel_thread.so
4033b000-40804000 r-xp 00000000 08:07 1461390
/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/ia32/libmkl_intel_thread.so
40337000-4033b000 rw-p 00000000 00:00 0
40330000-40337000 rw-p 0032d000 08:07 1461389
/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/ia32/libmkl_intel.so
40002000-40330000 r-xp 00000000 08:07 1461389
/opt/intel/composer_xe_2011_sp1.8.273/mkl/lib/ia32/libmkl_intel.so
40001000-40002000 rw-p 00000000 00:00 0
40000000-40001000 r-xp 00000000 00:00 0          [vdso]
09d6c000-09f03000 rw-p 00000000 00:00 0          [heap]
08169000-083c9000 rw-p 00000000 00:00 0
08161000-08169000 rw-p 00119000 08:07 4596827    /home/ghimire/wien2k/lapw1
08048000-08161000 r-xp 00000000 08:07 4596827    /home/ghimire/wien2k/lapw1
009fb000-009fd000 rw-p 00000000 00:00 0
009fa000-009fb000 rw-p 00017000 08:07 1839091    /lib/libpthread-2.12.so
009f9000-009fa000 r--p 00016000 08:07 1839091    /lib/libpthread-2.12.so
009e2000-009f9000 r-xp 00000000 08:07 1839091    /lib/libpthread-2.12.so
009df000-009e0000 rw-p 00028000 08:07 1839094    /lib/libm-2.12.so
009de000-009df000 r--p 00027000 08:07 1839094    /lib/libm-2.12.so
009b6000-009de000 r-xp 00000000 08:07 1839094    /lib/libm-2.12.so
009b3000-009b4000 rw-p 00003000 08:07 1839092    /lib/libdl-2.12.so
009b2000-009b3000 r--p 00002000 08:07 1839092    /lib/libdl-2.12.so
009af000-009b2000 r-xp 00000000 08:07 1839092    /lib/libdl-2.12.so
009aa000-009ad000 rw-p 00000000 00:00 0
009a9000-009aa000 rw-p 0018b000 08:07 1839089    /lib/libc-2.12.so
009a7000-009a9000 r--p 00189000 08:07 1839089    /lib/libc-2.12.so
009a6000-009a7000 ---p 00189000 08:07 1839089    /lib/libc-2.12.so
0081d000-009a6000 r-xp 00000000 08:07 1839089    /lib/libc-2.12.so
00816000-00817000 rw-p 0001e000 08:07 1839088    /lib/ld-2.12.so
00815000-00816000 r--p 0001d000 08:07 1839088    /lib/ld-2.12.so
007f7000-00815000 r-xp 00000000 08:07 1839088    /lib/ld-2.12.so
001d1000-001d2000 rw-p 0001d000 08:07 1839104
/lib/libgcc_s-4.4.6-20110824.so.1
001b4000-001d1000 r-xp 00000000 08:07 1839104
/lib/libgcc_s-4.4.6-20110824.so.1
======= Memory map: ========
[0x0]
/home/ghimire/wien2k/lapw1[0x809dcc2]
/home/ghimire/wien2k/lapw1[0x80d0892]
/lib/libc.so.6[0x88ba31]
======= Backtrace: =========
*** glibc detected *** /home/ghimire/wien2k/lapw1: free(): invalid next
size (normal): 0x09e68e48 ***
 LAPW0 END
-- 
M. P. Ghimire
NIMS, Japan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120210/41534ee5/attachment.htm>