[Wien] Problems observed in run scf cycles

Sun Feb 12 20:57:43 CET 2012

You seem to use a 32 bit installation of the compiler/mkl.   Why ???

I've no experience with 32 bit, but I suggest to use the 64 bit version.

Or did you really install a 32 bit Linux on your I5 processor machine ??

Am 10.02.2012 05:04, schrieb Madhav Ghimire:
> 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
> <http://libpthread-2.12.so>
> 009f9000-009fa000 r--p 00016000 08:07 1839091    /lib/libpthread-2.12.so
> <http://libpthread-2.12.so>
> 009e2000-009f9000 r-xp 00000000 08:07 1839091    /lib/libpthread-2.12.so
> <http://libpthread-2.12.so>
> 009df000-009e0000 rw-p 00028000 08:07 1839094    /lib/libm-2.12.so
> <http://libm-2.12.so>
> 009de000-009df000 r--p 00027000 08:07 1839094    /lib/libm-2.12.so
> <http://libm-2.12.so>
> 009b6000-009de000 r-xp 00000000 08:07 1839094    /lib/libm-2.12.so
> <http://libm-2.12.so>
> 009b3000-009b4000 rw-p 00003000 08:07 1839092    /lib/libdl-2.12.so
> <http://libdl-2.12.so>
> 009b2000-009b3000 r--p 00002000 08:07 1839092    /lib/libdl-2.12.so
> <http://libdl-2.12.so>
> 009af000-009b2000 r-xp 00000000 08:07 1839092    /lib/libdl-2.12.so
> <http://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
> <http://libc-2.12.so>
> 009a7000-009a9000 r--p 00189000 08:07 1839089    /lib/libc-2.12.so
> <http://libc-2.12.so>
> 009a6000-009a7000 ---p 00189000 08:07 1839089    /lib/libc-2.12.so
> <http://libc-2.12.so>
> 0081d000-009a6000 r-xp 00000000 08:07 1839089    /lib/libc-2.12.so
> <http://libc-2.12.so>
> 00816000-00817000 rw-p 0001e000 08:07 1839088    /lib/ld-2.12.so
> <http://ld-2.12.so>
> 00815000-00816000 r--p 0001d000 08:07 1839088    /lib/ld-2.12.so
> <http://ld-2.12.so>
> 007f7000-00815000 r-xp 00000000 08:07 1839088    /lib/ld-2.12.so
> <http://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
>
>
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> Wien at zeus.theochem.tuwien.ac.at
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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Austria
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