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Dear Sufyan,<br>
<br>
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).<br>
<br>
It looks like you are using Update 6: composer_xe_2011_sp1.6.233<br>
<br>
Since you have an Intel processor, you should try using Update 3 of
composer xe and see if the error goes away.<br>
<br>
A previous post for Update 3:
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015781.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015781.html</a><br>
<br>
It looks like Intel recently released a Update 8 (on 14 Dec 2011).
However, I haven't tested or heard from <i>Intel processor</i>
user's of Wien2k whether it works or is bad too.<br>
<br>
Kind Regards,<br>
<br>
Gavin<br>
<br>
On 12/22/2011 5:17 AM, sufyan wrote:
<blockquote
cite="mid:CAOMC65j=S5=0YtGmSwDifc2gzrXd+OaDZTBhhanxNYeCVdm=yQ@mail.gmail.com"
type="cite">
<div dir="ltr">Dears users,<br>
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:<br>
<br>
Commandline: runsp_lapw -i 560 -ec 0.00000001 -cc 0.000001 -NI<br>
has been sent to system for execution<br>
cd /home/sufyan2020/WIEN2k/EuMn2O5;runsp_lapw -i 560 -ec
0.00000001 -cc 0.000001 -NI<br>
<br>
LAPW0 END<br>
*** glibc detected *** /home/sufyan2020/WIENROOT/lapw1:
malloc(): memory corruption: 0x00000000018bde90 ***<br>
======= Backtrace: =========<br>
/lib64/libc.so.6[0x2b9e85ab3c76]<br>
/lib64/libc.so.6[0x2b9e85ab6d0e]<br>
/lib64/libc.so.6(__libc_malloc+0x79)[0x2b9e85ab8a59]<br>
/home/sufyan2020/WIENROOT/lapw1[0x4a99b3]<br>
/home/sufyan2020/WIENROOT/lapw1[0x481824]<br>
/home/sufyan2020/WIENROOT/lapw1[0x480a14]<br>
/home/sufyan2020/WIENROOT/lapw1[0x485128]<br>
/lib64/libpthread.so.0[0x2b9e8510bc00]<br>
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so[0x2b9e94a4ea10]<br>
======= Memory map: ========<br>
00400000-005a7000 r-xp 00000000 08:06
3149734
/home/sufyan2020/WIENROOT/lapw1<br>
007a6000-007a7000 r--p 001a6000 08:06
3149734
/home/sufyan2020/WIENROOT/lapw1<br>
007a7000-007b6000 rw-p 001a7000 08:06
3149734
/home/sufyan2020/WIENROOT/lapw1<br>
007b6000-01a41000 rw-p 00000000 00:00
0 [heap]<br>
2b9e82646000-2b9e82664000 r-xp 00000000 08:05
661 /lib64/<a moz-do-not-send="true"
href="http://ld-2.10.1.so">ld-2.10.1.so</a><br>
2b9e82664000-2b9e82666000 rw-p 00000000 00:00 0 <br>
2b9e82863000-2b9e82864000 r--p 0001d000 08:05
661 /lib64/<a moz-do-not-send="true"
href="http://ld-2.10.1.so">ld-2.10.1.so</a><br>
2b9e82864000-2b9e82865000 rw-p 0001e000 08:05
661 /lib64/<a moz-do-not-send="true"
href="http://ld-2.10.1.so">ld-2.10.1.so</a><br>
2b9e82865000-2b9e82df3000 r-xp 00000000 08:05
542915
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so<br>
2b9e82df3000-2b9e82ff2000 ---p 0058e000 08:05
542915
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so<br>
2b9e82ff2000-2b9e83000000 rw-p 0058d000 08:05
542915
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so<br>
2b9e83000000-2b9e83005000 rw-p 00000000 00:00 0 <br>
2b9e83005000-2b9e83d3f000 r-xp 00000000 08:05
542917
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so<br>
2b9e83d3f000-2b9e83f3f000 ---p 00d3a000 08:05
542917
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so<br>
2b9e83f3f000-2b9e8409d000 rw-p 00d3a000 08:05
542917
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_thread.so<br>
2b9e8409d000-2b9e840a1000 rw-p 00000000 00:00 0 <br>
2b9e840a1000-2b9e84eb7000 r-xp 00000000 08:05
542909
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so<br>
2b9e84eb7000-2b9e850b6000 ---p 00e16000 08:05
542909
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so<br>
2b9e850b6000-2b9e850c9000 rw-p 00e15000 08:05
542909
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_core.so<br>
2b9e850c9000-2b9e850da000 rw-p 00000000 00:00 0 <br>
2b9e850fd000-2b9e85113000 r-xp 00000000 08:05
854 /lib64/<a moz-do-not-send="true"
href="http://libpthread-2.10.1.so">libpthread-2.10.1.so</a><br>
2b9e85113000-2b9e85313000 ---p 00016000 08:05
854 /lib64/<a moz-do-not-send="true"
href="http://libpthread-2.10.1.so">libpthread-2.10.1.so</a><br>
2b9e85313000-2b9e85314000 r--p 00016000 08:05
854 /lib64/<a moz-do-not-send="true"
href="http://libpthread-2.10.1.so">libpthread-2.10.1.so</a><br>
2b9e85314000-2b9e85315000 rw-p 00017000 08:05
854 /lib64/<a moz-do-not-send="true"
href="http://libpthread-2.10.1.so">libpthread-2.10.1.so</a><br>
2b9e85315000-2b9e85319000 rw-p 00000000 00:00 0 <br>
2b9e85319000-2b9e8536d000 r-xp 00000000 08:05
130 /lib64/<a moz-do-not-send="true"
href="http://libm-2.10.1.so">libm-2.10.1.so</a><br>
2b9e8536d000-2b9e8556c000 ---p 00054000 08:05
130 /lib64/<a moz-do-not-send="true"
href="http://libm-2.10.1.so">libm-2.10.1.so</a><br>
2b9e8556c000-2b9e8556d000 r--p 00053000 08:05
130 /lib64/<a moz-do-not-send="true"
href="http://libm-2.10.1.so">libm-2.10.1.so</a><br>
2b9e8556d000-2b9e8556e000 rw-p 00054000 08:05
130 /lib64/<a moz-do-not-send="true"
href="http://libm-2.10.1.so">libm-2.10.1.so</a><br>
2b9e8556e000-2b9e8556f000 rw-p 00000000 00:00 0 <br>
2b9e8556f000-2b9e8562e000 r-xp 00000000 08:05
529477
/opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so<br>
2b9e8562e000-2b9e8582d000 ---p 000bf000 08:05
529477
/opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so<br>
2b9e8582d000-2b9e85836000 rw-p 000be000 08:05
529477
/opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/libiomp5.so<br>
2b9e85836000-2b9e8583d000 rw-p 00000000 00:00 0 <br>
2b9e8583d000-2b9e8583f000 r-xp 00000000 08:05
152 /lib64/<a moz-do-not-send="true"
href="http://libdl-2.10.1.so">libdl-2.10.1.so</a><br>
2b9e8583f000-2b9e85a3f000 ---p 00002000 08:05
152 /lib64/<a moz-do-not-send="true"
href="http://libdl-2.10.1.so">libdl-2.10.1.so</a><br>
2b9e85a3f000-2b9e85a40000 r--p 00002000 08:05
152 /lib64/<a moz-do-not-send="true"
href="http://libdl-2.10.1.so">libdl-2.10.1.so</a><br>
2b9e85a40000-2b9e85a41000 rw-p 00003000 08:05
152 /lib64/<a moz-do-not-send="true"
href="http://libdl-2.10.1.so">libdl-2.10.1.so</a><br>
2b9e85a41000-2b9e85b92000 r-xp 00000000 08:05
124 /lib64/<a moz-do-not-send="true"
href="http://libc-2.10.1.so">libc-2.10.1.so</a><br>
2b9e85b92000-2b9e85d92000 ---p 00151000 08:05
124 /lib64/<a moz-do-not-send="true"
href="http://libc-2.10.1.so">libc-2.10.1.so</a><br>
2b9e85d92000-2b9e85d96000 r--p 00151000 08:05
124 /lib64/<a moz-do-not-send="true"
href="http://libc-2.10.1.so">libc-2.10.1.so</a><br>
2b9e85d96000-2b9e85d97000 rw-p 00155000 08:05
124 /lib64/<a moz-do-not-send="true"
href="http://libc-2.10.1.so">libc-2.10.1.so</a><br>
2b9e85d97000-2b9e85d9d000 rw-p 00000000 00:00 0 <br>
2b9e85d9d000-2b9e85db2000 r-xp 00000000 08:05
4158 /lib64/libgcc_s.so.1<br>
2b9e85db2000-2b9e85fb1000 ---p 00015000 08:05
4158 /lib64/libgcc_s.so.1<br>
2b9e85fb1000-2b9e85fb2000 r--p 00014000 08:05
4158 /lib64/libgcc_s.so.1<br>
2b9e85fb2000-2b9e85fb3000 rw-p 00015000 08:05
4158 /lib64/libgcc_s.so.1<br>
2b9e85fb3000-2b9e85fb5000 rw-p 00000000 00:00 0 <br>
2b9e85fb5000-2b9e864bc000 r-xp 00000000 08:05
542930
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_vml_mc3.so<br>
2b9e864bc000-2b9e866bc000 ---p 00507000 08:05
542930
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_vml_mc3.so<br>
2b9e866bc000-2b9e86700000 rw-p 00507000 08:05
542930
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_vml_mc3.so<br>
2b9e86700000-2b9e86701000 rw-p 00000000 00:00 0 <br>
2b9e867d0000-2b9e90839000 rw-p 00000000 00:00 0 <br>
2b9e90839000-2b9e90842000 r--p 00000000 08:05
532170
/opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/locale/en_US/<a
moz-do-not-send="true" href="http://ifcore_msg.cat">ifcore_msg.cat</a><br>
2b9e94487000-2b9e95f17000 r-xp 00000000 08:05
542919
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so<br>
2b9e95f17000-2b9e96116000 ---p 01a90000 08:05
542919
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so<br>
2b9e96116000-2b9e9616b000 rw-p 01a8f000 08:05
542919
/opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so<br>
2b9e9616b000-2b9e9616d000 rw-p 00000000 00:00 0 <br>
2b9e98000000-2b9e98021000 rw-p 00000000 00:00 0 <br>
2b9e98021000-2b9e9c000000 ---p 00000000 00:00 0 <br>
7fff26671000-7fff26688000 rw-p 00000000 00:00
0 [stack]<br>
7fff267e2000-7fff267e3000 r-xp 00000000 00:00
0 [vdso]<br>
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00
0 [vsyscall]<br>
<br>
> stop error<br>
<br>
thanks<br>
sufyan naji<br>
<br>
<br>
<br>
<br>
<br>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
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</pre>
</blockquote>
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