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 0.00000001 -cc 0.000001 -NI >> has been sent to system for execution >> cd /home/sufyan2020/WIEN2k/EuMn2O5;runsp_lapw -i 560 -ec 0.00000001 >> -cc 0.000001 -NI >> >> LAPW0 END >> *** glibc detected *** /home/sufyan2020/WIENROOT/lapw1: malloc(): >> memory corruption: 0x00000000018bde90 *** >> ======= 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: ======== >> 00400000-005a7000 r-xp 00000000 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 00000000 00:00 >> 0 [heap] >> 2b9e82646000-2b9e82664000 r-xp 00000000 08:05 >> 661 /lib64/ld-2.10.1.so <http://ld-2.10.1.so> >> 2b9e82664000-2b9e82666000 rw-p 00000000 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 00000000 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 >> 2b9e82ff2000-2b9e83000000 rw-p 0058d000 08:05 >> 542915 >> /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_intel_lp64.so >> 2b9e83000000-2b9e83005000 rw-p 00000000 00:00 0 >> 2b9e83005000-2b9e83d3f000 r-xp 00000000 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 00000000 00:00 0 >> 2b9e840a1000-2b9e84eb7000 r-xp 00000000 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 00000000 00:00 0 >> 2b9e850fd000-2b9e85113000 r-xp 00000000 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 00000000 00:00 0 >> 2b9e85319000-2b9e8536d000 r-xp 00000000 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 <http://libm-2.10.1.so> >> 2b9e8556d000-2b9e8556e000 rw-p 00054000 08:05 >> 130 /lib64/libm-2.10.1.so <http://libm-2.10.1.so> >> 2b9e8556e000-2b9e8556f000 rw-p 00000000 00:00 0 >> 2b9e8556f000-2b9e8562e000 r-xp 00000000 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 00000000 00:00 0 >> 2b9e8583d000-2b9e8583f000 r-xp 00000000 08:05 >> 152 /lib64/libdl-2.10.1.so >> <http://libdl-2.10.1.so> >> 2b9e8583f000-2b9e85a3f000 ---p 00002000 08:05 >> 152 /lib64/libdl-2.10.1.so >> <http://libdl-2.10.1.so> >> 2b9e85a3f000-2b9e85a40000 r--p 00002000 08:05 >> 152 /lib64/libdl-2.10.1.so >> <http://libdl-2.10.1.so> >> 2b9e85a40000-2b9e85a41000 rw-p 00003000 08:05 >> 152 /lib64/libdl-2.10.1.so >> <http://libdl-2.10.1.so> >> 2b9e85a41000-2b9e85b92000 r-xp 00000000 08:05 >> 124 /lib64/libc-2.10.1.so <http://libc-2.10.1.so> >> 2b9e85b92000-2b9e85d92000 ---p 00151000 08:05 >> 124 /lib64/libc-2.10.1.so <http://libc-2.10.1.so> >> 2b9e85d92000-2b9e85d96000 r--p 00151000 08:05 >> 124 /lib64/libc-2.10.1.so <http://libc-2.10.1.so> >> 2b9e85d96000-2b9e85d97000 rw-p 00155000 08:05 >> 124 /lib64/libc-2.10.1.so <http://libc-2.10.1.so> >> 2b9e85d97000-2b9e85d9d000 rw-p 00000000 00:00 0 >> 2b9e85d9d000-2b9e85db2000 r-xp 00000000 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 00000000 00:00 0 >> 2b9e85fb5000-2b9e864bc000 r-xp 00000000 08:05 >> 542930 >> /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_vml_mc3.so >> 2b9e864bc000-2b9e866bc000 ---p 00507000 08:05 >> 542930 >> /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_vml_mc3.so >> 2b9e866bc000-2b9e86700000 rw-p 00507000 08:05 >> 542930 >> /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_vml_mc3.so >> 2b9e86700000-2b9e86701000 rw-p 00000000 00:00 0 >> 2b9e867d0000-2b9e90839000 rw-p 00000000 00:00 0 >> 2b9e90839000-2b9e90842000 r--p 00000000 08:05 >> 532170 >> /opt/intel/composer_xe_2011_sp1.6.233/compiler/lib/intel64/locale/en_US/ifcore_msg.cat >> >> <http://ifcore_msg.cat> >> 2b9e94487000-2b9e95f17000 r-xp 00000000 08:05 >> 542919 >> /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so >> 2b9e95f17000-2b9e96116000 ---p 01a90000 08:05 >> 542919 >> /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so >> 2b9e96116000-2b9e9616b000 rw-p 01a8f000 08:05 >> 542919 >> /opt/intel/composer_xe_2011_sp1.6.233/mkl/lib/intel64/libmkl_mc3.so >> 2b9e9616b000-2b9e9616d000 rw-p 00000000 00:00 0 >> 2b9e98000000-2b9e98021000 rw-p 00000000 00:00 0 >> 2b9e98021000-2b9e9c000000 ---p 00000000 00:00 0 >> 7fff26671000-7fff26688000 rw-p 00000000 00:00 >> 0 [stack] >> 7fff267e2000-7fff267e3000 r-xp 00000000 00:00 >> 0 [vdso] >> ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 >> 0 [vsyscall] >> >> > stop error >> >> thanks >> sufyan naji >> >> >> >> >> >> >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... 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