[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
has been sent to system for execution
cd /home/sufyan2020/WIEN2k/EuMn2O5;runsp_lapw -i 560 -ec 0.0001 -cc
0.01 -NI

 LAPW0 END
*** glibc detected *** /home/sufyan2020/WIENROOT/lapw1: malloc(): memory
corruption: 0x018bde90 ***
=== Backtrace: =
/lib64/libc.so.6[0x2b9e85ab3c76]
/lib64/libc.so.6[0x2b9e85ab6d0e]
/lib64/libc.so.6(__libc_malloc+0x79)[0x2b9e85ab8a59]
/home/sufyan2020/WIENROOT/lapw1[0x4a99b3]
/home/sufyan2020/WIENROOT/lapw1[0x481824]
/home/sufyan2020/WIENROOT/lapw1[0x480a14]
/home/sufyan2020/WIENROOT/lapw1[0x485128]
/lib64/libpthread.so.0[0x2b9e8510bc00]
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so[0x2b9e94a4ea10]
=== Memory map: 
0040-005a7000 r-xp  08:06 3149734
/home/sufyan2020/WIENROOT/lapw1
007a6000-007a7000 r--p 001a6000 08:06 3149734
/home/sufyan2020/WIENROOT/lapw1
007a7000-007b6000 rw-p 001a7000 08:06 3149734
/home/sufyan2020/WIENROOT/lapw1
007b6000-01a41000 rw-p  00:00 0
[heap]
2b9e82646000-2b9e82664000 r-xp  08:05 661
/lib64/ld-2.10.1.so
2b9e82664000-2b9e82666000 rw-p  00:00 0
2b9e82863000-2b9e82864000 r--p 0001d000 08:05 661
/lib64/ld-2.10.1.so
2b9e82864000-2b9e82865000 rw-p 0001e000 08:05 661
/lib64/ld-2.10.1.so
2b9e82865000-2b9e82df3000 r-xp  08:05 542915
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
2b9e82df3000-2b9e82ff2000 ---p 0058e000 08:05 542915
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
2b9e82ff2000-2b9e8300 rw-p 0058d000 08:05 542915
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
2b9e8300-2b9e83005000 rw-p  00:00 0
2b9e83005000-2b9e83d3f000 r-xp  08:05 542917
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
2b9e83d3f000-2b9e83f3f000 ---p 00d3a000 08:05 542917
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
2b9e83f3f000-2b9e8409d000 rw-p 00d3a000 08:05 542917
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
2b9e8409d000-2b9e840a1000 rw-p  00:00 0
2b9e840a1000-2b9e84eb7000 r-xp  08:05 542909
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
2b9e84eb7000-2b9e850b6000 ---p 00e16000 08:05 542909
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
2b9e850b6000-2b9e850c9000 rw-p 00e15000 08:05 542909
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
2b9e850c9000-2b9e850da000 rw-p  00:00 0
2b9e850fd000-2b9e85113000 r-xp  08:05 854
/lib64/libpthread-2.10.1.so
2b9e85113000-2b9e85313000 ---p 00016000 08:05 854
/lib64/libpthread-2.10.1.so
2b9e85313000-2b9e85314000 r--p 00016000 08:05 854
/lib64/libpthread-2.10.1.so
2b9e85314000-2b9e85315000 rw-p 00017000 08:05 854
/lib64/libpthread-2.10.1.so
2b9e85315000-2b9e85319000 rw-p  00:00 0
2b9e85319000-2b9e8536d000 r-xp  08:05 130
/lib64/libm-2.10.1.so
2b9e8536d000-2b9e8556c000 ---p 00054000 08:05 130
/lib64/libm-2.10.1.so
2b9e8556c000-2b9e8556d000 r--p 00053000 08:05 130
/lib64/libm-2.10.1.so
2b9e8556d000-2b9e8556e000 rw-p 00054000 08:05 130
/lib64/libm-2.10.1.so
2b9e8556e000-2b9e8556f000 rw-p  00:00 0
2b9e8556f000-2b9e8562e000 r-xp  08:05 529477
/opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so
2b9e8562e000-2b9e8582d000 ---p 000bf000 08:05 529477
/opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so
2b9e8582d000-2b9e85836000 rw-p 000be000 08:05 529477
/opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so
2b9e85836000-2b9e8583d000 rw-p  00:00 0
2b9e8583d000-2b9e8583f000 r-xp  08:05 152
/lib64/libdl-2.10.1.so
2b9e8583f000-2b9e85a3f000 ---p 2000 08:05 152
/lib64/libdl-2.10.1.so
2b9e85a3f000-2b9e85a4 r--p 2000 08:05 152
/lib64/libdl-2.10.1.so
2b9e85a4-2b9e85a41000 rw-p 3000 08:05 152
/lib64/libdl-2.10.1.so
2b9e85a41000-2b9e85b92000 r-xp  08:05 124
/lib64/libc-2.10.1.so
2b9e85b92000-2b9e85d92000 ---p 00151000 08:05 124
/lib64/libc-2.10.1.so
2b9e85d92000-2b9e85d96000 r--p 00151000 08:05 124
/lib64/libc-2.10.1.so
2b9e85d96000-2b9e85d97000 rw-p 00155000 08:05 124
/lib64/libc-2.10.1.so
2b9e85d97000-2b9e85d9d000 rw-p  00:00 0
2b9e85d9d000-2b9e85db2000 r-xp  08:05 4158
/lib64/libgcc_s.so.1
2b9e85db2000-2b9e85fb1000 ---p 00015000 08:05 4158
/lib64/libgcc_s.so.1
2b9e85fb1000-2b9e85fb2000 r--p 00014000 08:05 4158
/lib64/libgcc_s.so.1
2b9e85fb2000-2b9e85fb3000 rw-p 00015000 08:05 4158
/lib64/libgcc_s.so.1
2b9e85fb3000-2b9e85fb5000 rw-p  00:00 0
2b9e85fb5000-2b9e864bc000 r-xp  08:05 542930

[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, you should try using Update 3 of 
composer xe and see if the error goes away.

A previous post for Update 3: 
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015781.html

It looks like Intel recently released a Update 8 (on 14 Dec 2011).  
However, I haven't tested or heard from /Intel processor/ user's of 
Wien2k whether it works or is bad too.

Kind Regards,

Gavin

On 12/22/2011 5:17 AM, sufyan wrote:
 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
 has been sent to system for execution
 cd /home/sufyan2020/WIEN2k/EuMn2O5;runsp_lapw -i 560 -ec 0.0001 
 -cc 0.01 -NI

  LAPW0 END
 *** glibc detected *** /home/sufyan2020/WIENROOT/lapw1: malloc(): 
 memory corruption: 0x018bde90 ***
 === Backtrace: =
 /lib64/libc.so.6[0x2b9e85ab3c76]
 /lib64/libc.so.6[0x2b9e85ab6d0e]
 /lib64/libc.so.6(__libc_malloc+0x79)[0x2b9e85ab8a59]
 /home/sufyan2020/WIENROOT/lapw1[0x4a99b3]
 /home/sufyan2020/WIENROOT/lapw1[0x481824]
 /home/sufyan2020/WIENROOT/lapw1[0x480a14]
 /home/sufyan2020/WIENROOT/lapw1[0x485128]
 /lib64/libpthread.so.0[0x2b9e8510bc00]
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so[0x2b9e94a4ea10]
 === Memory map: 
 0040-005a7000 r-xp  08:06 
 3149734/home/sufyan2020/WIENROOT/lapw1
 007a6000-007a7000 r--p 001a6000 08:06 
 3149734/home/sufyan2020/WIENROOT/lapw1
 007a7000-007b6000 rw-p 001a7000 08:06 
 3149734/home/sufyan2020/WIENROOT/lapw1
 007b6000-01a41000 rw-p  00:00 
 0  [heap]
 2b9e82646000-2b9e82664000 r-xp  08:05 
 661/lib64/ld-2.10.1.so http://ld-2.10.1.so
 2b9e82664000-2b9e82666000 rw-p  00:00 0
 2b9e82863000-2b9e82864000 r--p 0001d000 08:05 
 661/lib64/ld-2.10.1.so http://ld-2.10.1.so
 2b9e82864000-2b9e82865000 rw-p 0001e000 08:05 
 661/lib64/ld-2.10.1.so http://ld-2.10.1.so
 2b9e82865000-2b9e82df3000 r-xp  08:05 
 542915 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
 2b9e82df3000-2b9e82ff2000 ---p 0058e000 08:05 
 542915 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
 2b9e82ff2000-2b9e8300 rw-p 0058d000 08:05 
 542915 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
 2b9e8300-2b9e83005000 rw-p  00:00 0
 2b9e83005000-2b9e83d3f000 r-xp  08:05 
 542917 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
 2b9e83d3f000-2b9e83f3f000 ---p 00d3a000 08:05 
 542917 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
 2b9e83f3f000-2b9e8409d000 rw-p 00d3a000 08:05 
 542917 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
 2b9e8409d000-2b9e840a1000 rw-p  00:00 0
 2b9e840a1000-2b9e84eb7000 r-xp  08:05 
 542909 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
 2b9e84eb7000-2b9e850b6000 ---p 00e16000 08:05 
 542909 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
 2b9e850b6000-2b9e850c9000 rw-p 00e15000 08:05 
 542909 
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
 2b9e850c9000-2b9e850da000 rw-p  00:00 0
 2b9e850fd000-2b9e85113000 r-xp  08:05 
 854/lib64/libpthread-2.10.1.so 
 http://libpthread-2.10.1.so
 2b9e85113000-2b9e85313000 ---p 00016000 08:05 
 854/lib64/libpthread-2.10.1.so 
 http://libpthread-2.10.1.so
 2b9e85313000-2b9e85314000 r--p 00016000 08:05 
 854/lib64/libpthread-2.10.1.so 
 http://libpthread-2.10.1.so
 2b9e85314000-2b9e85315000 rw-p 00017000 08:05 
 854/lib64/libpthread-2.10.1.so 
 http://libpthread-2.10.1.so
 2b9e85315000-2b9e85319000 rw-p  00:00 0
 2b9e85319000-2b9e8536d000 r-xp  08:05 
 130/lib64/libm-2.10.1.so http://libm-2.10.1.so
 2b9e8536d000-2b9e8556c000 ---p 00054000 08:05 
 130/lib64/libm-2.10.1.so http://libm-2.10.1.so
 2b9e8556c000-2b9e8556d000 r--p 00053000 08:05 
 130/lib64/libm-2.10.1.so 

[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
wrong with how you have, for instance RKMAX, RMTs as well as how large your
problem is compared to the number of cores.

---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
Research is to see what everybody else has seen, and to think what nobody
else has thought
Albert Szent-Gyorgi
 On Dec 22, 2011 5:18 AM, sufyan sufeer03 at gmail.com wrote:

 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
 has been sent to system for execution
 cd /home/sufyan2020/WIEN2k/EuMn2O5;runsp_lapw -i 560 -ec 0.0001 -cc
 0.01 -NI

  LAPW0 END
 *** glibc detected *** /home/sufyan2020/WIENROOT/lapw1: malloc(): memory
 corruption: 0x018bde90 ***
 === Backtrace: =
 /lib64/libc.so.6[0x2b9e85ab3c76]
 /lib64/libc.so.6[0x2b9e85ab6d0e]
 /lib64/libc.so.6(__libc_malloc+0x79)[0x2b9e85ab8a59]
 /home/sufyan2020/WIENROOT/lapw1[0x4a99b3]
 /home/sufyan2020/WIENROOT/lapw1[0x481824]
 /home/sufyan2020/WIENROOT/lapw1[0x480a14]
 /home/sufyan2020/WIENROOT/lapw1[0x485128]
 /lib64/libpthread.so.0[0x2b9e8510bc00]

 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so[0x2b9e94a4ea10]
 === Memory map: 
 0040-005a7000 r-xp  08:06 3149734
 /home/sufyan2020/WIENROOT/lapw1
 007a6000-007a7000 r--p 001a6000 08:06 3149734
 /home/sufyan2020/WIENROOT/lapw1
 007a7000-007b6000 rw-p 001a7000 08:06 3149734
 /home/sufyan2020/WIENROOT/lapw1
 007b6000-01a41000 rw-p  00:00 0
 [heap]
 2b9e82646000-2b9e82664000 r-xp  08:05 661
 /lib64/ld-2.10.1.so
 2b9e82664000-2b9e82666000 rw-p  00:00 0
 2b9e82863000-2b9e82864000 r--p 0001d000 08:05 661
 /lib64/ld-2.10.1.so
 2b9e82864000-2b9e82865000 rw-p 0001e000 08:05 661
 /lib64/ld-2.10.1.so
 2b9e82865000-2b9e82df3000 r-xp  08:05 542915
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
 2b9e82df3000-2b9e82ff2000 ---p 0058e000 08:05 542915
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
 2b9e82ff2000-2b9e8300 rw-p 0058d000 08:05 542915
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so
 2b9e8300-2b9e83005000 rw-p  00:00 0
 2b9e83005000-2b9e83d3f000 r-xp  08:05 542917
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
 2b9e83d3f000-2b9e83f3f000 ---p 00d3a000 08:05 542917
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
 2b9e83f3f000-2b9e8409d000 rw-p 00d3a000 08:05 542917
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so
 2b9e8409d000-2b9e840a1000 rw-p  00:00 0
 2b9e840a1000-2b9e84eb7000 r-xp  08:05 542909
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
 2b9e84eb7000-2b9e850b6000 ---p 00e16000 08:05 542909
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
 2b9e850b6000-2b9e850c9000 rw-p 00e15000 08:05 542909
 /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so
 2b9e850c9000-2b9e850da000 rw-p  00:00 0
 2b9e850fd000-2b9e85113000 r-xp  08:05 854
 /lib64/libpthread-2.10.1.so
 2b9e85113000-2b9e85313000 ---p 00016000 08:05 854
 /lib64/libpthread-2.10.1.so
 2b9e85313000-2b9e85314000 r--p 00016000 08:05 854
 /lib64/libpthread-2.10.1.so
 2b9e85314000-2b9e85315000 rw-p 00017000 08:05 854
 /lib64/libpthread-2.10.1.so
 2b9e85315000-2b9e85319000 rw-p  00:00 0
 2b9e85319000-2b9e8536d000 r-xp  08:05 130
 /lib64/libm-2.10.1.so
 2b9e8536d000-2b9e8556c000 ---p 00054000 08:05 130
 /lib64/libm-2.10.1.so
 2b9e8556c000-2b9e8556d000 r--p 00053000 08:05 130
 /lib64/libm-2.10.1.so
 2b9e8556d000-2b9e8556e000 rw-p 00054000 08:05 130
 /lib64/libm-2.10.1.so
 2b9e8556e000-2b9e8556f000 rw-p  00:00 0
 2b9e8556f000-2b9e8562e000 r-xp  08:05 529477
 /opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so
 2b9e8562e000-2b9e8582d000 ---p 000bf000 08:05 529477
 /opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so
 2b9e8582d000-2b9e85836000 rw-p 000be000 08:05 529477
 /opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so
 2b9e85836000-2b9e8583d000 rw-p  00:00 0
 2b9e8583d000-2b9e8583f000 r-xp  08:05 152
 /lib64/libdl-2.10.1.so
 2b9e8583f000-2b9e85a3f000 ---p 2000 08:05 152
 /lib64/libdl-2.10.1.so
 2b9e85a3f000-2b9e85a4 r--p 2000 08:05 152
 

[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, 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, you should try using Update 3 of 
 composer xe and see if the error goes away.

 A previous post for Update 3: 
 http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015781.html

 It looks like Intel recently released a Update 8 (on 14 Dec 2011).  
 However, I haven't tested or heard from /Intel processor/ user's of 
 Wien2k whether it works or is bad too.

 Kind Regards,

 Gavin

 On 12/22/2011 5:17 AM, sufyan wrote:
 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
 has been sent to system for execution
 cd /home/sufyan2020/WIEN2k/EuMn2O5;runsp_lapw -i 560 -ec 0.0001 
 -cc 0.01 -NI

  LAPW0 END
 *** glibc detected *** /home/sufyan2020/WIENROOT/lapw1: malloc(): 
 memory corruption: 0x018bde90 ***
 === Backtrace: =
 /lib64/libc.so.6[0x2b9e85ab3c76]
 /lib64/libc.so.6[0x2b9e85ab6d0e]
 /lib64/libc.so.6(__libc_malloc+0x79)[0x2b9e85ab8a59]
 /home/sufyan2020/WIENROOT/lapw1[0x4a99b3]
 /home/sufyan2020/WIENROOT/lapw1[0x481824]
 /home/sufyan2020/WIENROOT/lapw1[0x480a14]
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