Dear all, I am trying to perform a simple calculation using the attached struct file, but unfortunately I am getting an error message I do not understand. Could you please help me? (I am not sure whether there is some problem with the code, setting of my calculation, or the installation of the code.)
I am using Wien2k 11. on openSuSE 12.1 system with installed Intel Composer 2011 (MKL+Fortran). The initialisation runs without any problem, lapw0 finishes OK, but then lapw1 crashes: ---------------- LAPW0 END *** glibc detected *** /home/david/software/WIEN2k/WIEN2k_11.1/lapw1: munmap_chunk(): invalid pointer: 0x0000000000de4220 *** ======= Backtrace: ========= /lib64/libc.so.6(+0x766d6)[0x2b97ae46b6d6] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so(mkl_serv_allocate+0x2fd)[0x2b97acad8ded] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_mc3.so(mkl_blas_dgemm_get_bufs+0xcc)[0x2b97b019316c] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so(mkl_blas_dgemm_get_bufs+0x22)[0x2b97acadf792] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_mc3.so(mkl_blas_xdgemm_par+0x928)[0x2b97b01eff18] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so(mkl_blas_xdgemm_par+0xd1)[0x2b97acae13a1] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_mc3.so(mkl_blas_dtrsm_left+0x3c4)[0x2b97b01be214] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_mc3.so(mkl_blas_xdtrsm+0x559)[0x2b97b01f5d19] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so(mkl_blas_xdtrsm+0xb9)[0x2b97acae1889] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so(mkl_blas_dtrsm+0x4d9)[0x2b97abb16699] /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so(dtrsm+0xe7)[0x2b97ab337217] /home/david/software/WIEN2k/WIEN2k_11.1/lapw1[0x4665a8] /home/david/software/WIEN2k/WIEN2k_11.1/lapw1[0x40eaa8] /home/david/software/WIEN2k/WIEN2k_11.1/lapw1[0x443723] /home/david/software/WIEN2k/WIEN2k_11.1/lapw1[0x404f4c] /lib64/libc.so.6(__libc_start_main+0xed)[0x2b97ae41623d] /home/david/software/WIEN2k/WIEN2k_11.1/lapw1[0x404e49] ======= Memory map: ======== 00400000-005a7000 r-xp 00000000 08:03 5899779 /home/david/software/WIEN2k/WIEN2k_11.1/lapw1 007a6000-007a7000 r--p 001a6000 08:03 5899779 /home/david/software/WIEN2k/WIEN2k_11.1/lapw1 007a7000-007b6000 rw-p 001a7000 08:03 5899779 /home/david/software/WIEN2k/WIEN2k_11.1/lapw1 007b6000-017b2000 rw-p 00000000 00:00 0 [heap] 2b97ab011000-2b97ab031000 r-xp 00000000 08:02 789099 /lib64/ld-2.14.1.so 2b97ab031000-2b97ab032000 rw-p 00000000 00:00 0 2b97ab231000-2b97ab232000 r--p 00020000 08:02 789099 /lib64/ld-2.14.1.so 2b97ab232000-2b97ab233000 rw-p 00021000 08:02 789099 /lib64/ld-2.14.1.so 2b97ab233000-2b97ab234000 rw-p 00000000 00:00 0 2b97ab234000-2b97ab7c2000 r-xp 00000000 08:02 1086327 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 2b97ab7c2000-2b97ab9c2000 ---p 0058e000 08:02 1086327 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 2b97ab9c2000-2b97ab9d0000 rw-p 0058e000 08:02 1086327 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 2b97ab9d0000-2b97ab9d6000 rw-p 00000000 00:00 0 2b97ab9d6000-2b97ac6ce000 r-xp 00000000 08:02 1086329 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 2b97ac6ce000-2b97ac8cd000 ---p 00cf8000 08:02 1086329 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 2b97ac8cd000-2b97aca25000 rw-p 00cf7000 08:02 1086329 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 2b97aca25000-2b97aca28000 rw-p 00000000 00:00 0 2b97aca28000-2b97ad83f000 r-xp 00000000 08:02 1086321 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so 2b97ad83f000-2b97ada3e000 ---p 00e17000 08:02 1086321 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so 2b97ada3e000-2b97ada52000 rw-p 00e16000 08:02 1086321 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so 2b97ada52000-2b97ada62000 rw-p 00000000 00:00 0 2b97ada8f000-2b97adaa7000 r-xp 00000000 08:02 803205 /lib64/libpthread-2.14.1.so 2b97adaa7000-2b97adca6000 ---p 00018000 08:02 803205 /lib64/libpthread-2.14.1.so 2b97adca6000-2b97adca7000 r--p 00017000 08:02 803205 /lib64/libpthread-2.14.1.so 2b97adca7000-2b97adca8000 rw-p 00018000 08:02 803205 /lib64/libpthread-2.14.1.so 2b97adca8000-2b97adcad000 rw-p 00000000 00:00 0 2b97adcad000-2b97add03000 r-xp 00000000 08:02 803186 /lib64/libm-2.14.1.so 2b97add03000-2b97adf02000 ---p 00056000 08:02 803186 /lib64/libm-2.14.1.so 2b97adf02000-2b97adf03000 r--p 00055000 08:02 803186 /lib64/libm-2.14.1.so 2b97adf03000-2b97adf04000 rw-p 00056000 08:02 803186 /lib64/libm-2.14.1.so 2b97adf04000-2b97adfd0000 r-xp 00000000 08:02 426171 /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so 2b97adfd0000-2b97ae1cf000 ---p 000cc000 08:02 426171 /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so 2b97ae1cf000-2b97ae1d9000 rw-p 000cb000 08:02 426171 /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so 2b97ae1d9000-2b97ae1f0000 rw-p 00000000 00:00 0 2b97ae1f0000-2b97ae1f2000 r-xp 00000000 08:02 803154 /lib64/libdl-2.14.1.so 2b97ae1f2000-2b97ae3f2000 ---p 00002000 08:02 803154 /lib64/libdl-2.14.1.so 2b97ae3f2000-2b97ae3f3000 r--p 00002000 08:02 803154 /lib64/libdl-2.14.1.so 2b97ae3f3000-2b97ae3f4000 rw-p 00003000 08:02 803154 /lib64/libdl-2.14.1.so 2b97ae3f4000-2b97ae3f5000 rw-p 00000000 00:00 0 2b97ae3f5000-2b97ae57c000 r-xp 00000000 08:02 788017 /lib64/libc-2.14.1.so 2b97ae57c000-2b97ae77b000 ---p 00187000 08:02 788017 /lib64/libc-2.14.1.so 2b97ae77b000-2b97ae77f000 r--p 00186000 08:02 788017 /lib64/libc-2.14.1.so 2b97ae77f000-2b97ae780000 rw-p 0018a000 08:02 788017 /lib64/libc-2.14.1.so 2b97ae780000-2b97ae785000 rw-p 00000000 00:00 0 2b97ae785000-2b97ae79a000 r-xp 00000000 08:02 789289 /lib64/libgcc_s.so.1 2b97ae79a000-2b97ae999000 ---p 00015000 08:02 789289 /lib64/libgcc_s.so.1 2b97ae999000-2b97ae99a000 r--p 00014000 08:02 789289 /lib64/libgcc_s.so.1 2b97ae99a000-2b97ae99b000 rw-p 00015000 08:02 789289 /lib64/libgcc_s.so.1 2b97ae99b000-2b97ae99d000 rw-p 00000000 00:00 0 2b97ae99d000-2b97aeea4000 r-xp 00000000 08:02 1086342 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_mc3.so 2b97aeea4000-2b97af0a3000 ---p 00507000 08:02 1086342 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_mc3.so 2b97af0a3000-2b97af0e7000 rw-p 00506000 08:02 1086342 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_mc3.so 2b97af0e7000-2b97af0e8000 rw-p 00000000 00:00 0 2b97af1b7000-2b97af215000 rw-p 00000000 00:00 0 2b97afbee000-2b97b1766000 r-xp 00000000 08:02 1086331 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_mc3.so 2b97b1766000-2b97b1965000 ---p 01b78000 08:02 1086331 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_mc3.so 2b97b1965000-2b97b19ba000 rw-p 01b77000 08:02 1086331 /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_mc3.so 2b97b19ba000-2b97b1bdc000 rw-p 00000000 00:00 0 7fffb3eb6000-7fffb3edc000 rw-p 00000000 00:00 0 [stack] 7fffb3f69000-7fffb3f6a000 r-xp 00000000 00:00 0 [vdso] ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0 [vsyscall] forrtl: error (76): Abort trap signal Image PC Routine Line Source libc.so.6 00002B97AE429D95 Unknown Unknown Unknown libc.so.6 00002B97AE42B2AB Unknown Unknown Unknown libc.so.6 00002B97AE46599E Unknown Unknown Unknown libc.so.6 00002B97AE46B6D6 Unknown Unknown Unknown libmkl_core.so 00002B97ACAD8DED Unknown Unknown Unknown libmkl_mc3.so 00002B97B019316C Unknown Unknown Unknown libmkl_core.so 00002B97ACADF792 Unknown Unknown Unknown libmkl_mc3.so 00002B97B01EFF18 Unknown Unknown Unknown libmkl_core.so 00002B97ACAE13A1 Unknown Unknown Unknown libmkl_mc3.so 00002B97B01BE214 Unknown Unknown Unknown libmkl_mc3.so 00002B97B01F5D19 Unknown Unknown Unknown libmkl_core.so 00002B97ACAE1889 Unknown Unknown Unknown libmkl_intel_thre 00002B97ABB16699 Unknown Unknown Unknown libmkl_intel_lp64 00002B97AB337217 Unknown Unknown Unknown lapw1 00000000004665A8 seclr4_ 423 seclr4_tmp_.F lapw1 000000000040EAA8 calkpt_ 200 calkpt_tmp_.F lapw1 0000000000443723 MAIN__ 61 lapw1_tmp_.F lapw1 0000000000404F4C Unknown Unknown Unknown libc.so.6 00002B97AE41623D Unknown Unknown Unknown lapw1 0000000000404E49 Unknown Unknown Unknown ---------------- Any help, or direction where to look for the source of my problems, would be hugely appreciated. Many thanks! David -- Dr. David Holec Dept. of Physical Metallurgy and Materials Testing University of Leoben Franz-Josef-Strasse 18 A-8700 Leoben Austria tel. +43-(0)3842-4024241 fax. +43-(0)3842-4024202 -------------- next part -------------- A non-text attachment was scrubbed... Name: Zr2Ni7.struct Type: application/octet-stream Size: 2132 bytes Desc: not available URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120629/b68c6b8f/attachment.dll>