Dear Gavin Abo, Thanks for your guidance and your help to correct this compiling options. i am very grateful to you. Thanks and Regards Arqum Hashmi
________________________________ From: Gavin Abo <gs...@crimson.ua.edu> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Friday, February 3, 2012 8:24 PM Subject: [Wien] Solved lapw2 read_vec error First, thanks to everyone that provided feedback on this lapw2 read_vec error. It seems that the cause of the runtime error was the compiler options.? The compiler options that resolved and caused the error in Wien2k version 11 (and version 10) are given below.??? Working Compiler Settings: O?? Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback L?? Linker Flags: $(FOPT) -L/opt/intel/mkl/10.1.0.015/lib/32 -pthread P?? Preprocessor flags '-DParallel' R?? R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl -lguide RP? RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack -lmkl_blacs -L/opt/local/fftw/lib/ -lfftw_mpi -lfftw $(R_LIBS) FP? FPOPT(par.comp.options): $(FOPT) MP? MPIRUN commando: mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ Compiler Settings that Caused the Error: O?? Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback L?? Linker Flags: $(FOPT) -L/opt/intel/mkl/10.1.0.015/lib/32 -lpthread P?? Preprocessor flags '-DParallel' R?? R_LIB (LAPACK+BLAS): $(FOPT) -L/opt/intel/mkl/10.1.0.015/lib/32 -lmkl_lapack -lmkl -lguide -lvml -pthread RP? RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack -lmkl_blacs -L/opt/local/fftw/lib/ -lfftw_mpi -lfftw $(R_LIBS) FP? FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback MP? MPIRUN commando: mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ Notes: 64 bit SUSE Linux with 32 bit ifort/mkl. RP_LIB, FPOPT, and MPIRUN should only apply if using "MPI and Scalapack installed" option and with FFTW library. On 1/30/2012 8:53 AM, Laurence Marks wrote: 2012/1/30 Gavin Abo <gsabo at crimson.ua.edu>: >Dear Dr. Blaha or developers, I got the case.vector file from Arqum.? When I do a single program run with the file on my Debian squeeze IFCE Update 8 AMD processor system, I get the "double free or corruption" error below.? If I do a single program lawp1, the case.vector file gets rewritten, then I can run lawp2 without any problems on my system. >This is probably because there are differences in the detailed structure of unformatted files from system to system. Hence copying the vector file to your system is probably not going to work. >Arqum was using a Wien2k version 10, and the TiC example ran without any problems.? The only system condition that should have changed is the use of Wien2k version 11.? So it seems like there may be some new code in version 11 that his compiler does not handle in the same way.? So it seems that the compiler is making an executable that generates a bad case.vector file.? Any ideas on the possible cause in the code and a fix? >In 99% of cases problems are due to bad input; in a few cases bad compilation. As has been said by others, so far insufficient information has been provided for anything except wild guesses. >Commandline: x lapw2 Program input is: "" *** glibc detected *** /home/gavin/WIEN2k/lapw2: double free or corruption (!prev): 0x0000000002a25660 *** ======= Backtrace: ========= /lib/libc.so.6(+0x71bd6)[0x2b4b3d7debd6] /lib/libc.so.6(cfree+0x6c)[0x2b4b3d7e394c] /home/gavin/WIEN2k/lapw2[0x4c52ec] /home/gavin/WIEN2k/lapw2[0x40b266] /home/gavin/WIEN2k/lapw2[0x46b823] /home/gavin/WIEN2k/lapw2[0x474a48] /home/gavin/WIEN2k/lapw2[0x403d6c] /lib/libc.so.6(__libc_start_main+0xfd)[0x2b4b3d78bc8d] /home/gavin/WIEN2k/lapw2[0x403c69] ======= Memory map: ======== ...(long list of the memory map that I removed here) Aborted 0.4u 0.0s 0:00.45 100.0% 0+0k 0+384io 0pf+0w error: command?? /home/gavin/WIEN2k/lapw2 lapw2.def?? failed Gavin On 1/30/2012 1:45 AM, arqum hashmi wrote: Dear prof. P BLAHA, yes this error is reproducible and again occured? when i run another? scf cycle. lapw1.def gives this output 4,'TiC.klist',????????? 'unknown','formatted',0 ?5,'TiC.in1',?? 'old',??? 'formatted',0 ?6,'TiC.output1','unknown','formatted',0 10,'./TiC.vector', 'unknown','unformatted',9000 11,'TiC.energy', 'unknown','formatted',0 18,'TiC.vsp',?????? 'old',??? 'formatted',0 19,'TiC.vns',?????? 'unknown','formatted',0 20,'TiC.struct',???????? 'old',??? 'formatted',0 21,'TiC.scf1',?? 'unknown','formatted',0 55,'TiC.vec',??????????? 'unknown','formatted',0 71,'TiC.nsh',??? 'unknown','formatted',0 200,'./TiC.storeHinv', 'replace','unformatted',9000 ?lapw2.def give this 2,'TiC.nsh',??? 'unknown','formatted',0 ?3,'TiC.in1',?? 'unknown','formatted',0 ?4,'TiC.inso',?????????? 'unknown','formatted',0 ?5,'TiC.in2',?? 'old',??? 'formatted',0 ?6,'TiC.output2','unknown','formatted',0 ?7,'TiC.vorb','unknown','formatted',0 ?8,'TiC.clmval','unknown','formatted',0 10,'./TiC.vector', 'unknown','unformatted',9000 11,'TiC.weight',??? 'unknown','formatted',0 13,'TiC.recprlist',????? 'unknown','unformatted',9000 14,'TiC.kgen',??????? 'unknown','formatted',0 15,'TiC.tmp',?????? 'unknown','unformatted',0 16,'TiC.qtl',?????? 'unknown','formatted',0 17,'TiC.weightaver','unknown','formatted',0 18,'TiC.vsp',?????? 'old',??? 'formatted',0 19,'TiC.vns',?????? 'unknown','formatted',0 20,'TiC.struct',???????? 'old',??? 'formatted',0 21,'TiC.scf2',?? 'unknown','formatted',0 22,'TiC.rotlm',?? 'unknown',??? 'formatted',0 23,'TiC.radwf',?? 'unknown',??? 'formatted',0 24,'TiC.almblm',?? 'unknown',??? 'formatted',0 26,'TiC.weigh',?? 'unknown','unformatted',0 27,'TiC.weighdn',?? 'unknown','unformatted',0 29,'TiC.energydn','unknown','formatted',0 30,'TiC.energy', 'unknown','formatted',0 32,'TiC.qdmft',?? 'unknown',??? 'formatted',0 34,'TiC.oubwin',?? 'unknown',??? 'formatted',0 231,'TiC.dmftsym',?? 'unknown',??? 'formatted',0 and also i have enough memory to work on wien2k. now is this information is enough to solve that what is going wrong. thanks and Regards ________________________________ From: Peter Blaha <pblaha at theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> Sent: Sunday, January 29, 2012 11:28 PM Subject: Re: [Wien] urgent help required We need more information: Is this error reproducible ? Does it occur again when you run another? scf cycle (run_lapw) ? cat lapw1.def cat lapw2.def ls -alsrt *vector? ? (or if you are using $SCRATCH:? ls -alsrt $SCRATCH/*.vector ) do you have enough disk space ( df) ? Am 30.01.2012 07:03, schrieb arqum hashmi: >>Dear wien2k users , my system is Intel(R) Xeon(R) CPU E5440 @ 2.83GHz. i used suse linux. i used ifort compiler 10.1.008 and mkl library is 10.1.0.015. i installed the wien2k version 11 succesfully. after installing succesfully, i run the example of TiC. when i run the Scf cycle it gives this error below. LAPW0 END ? LAPW1 END forrtl: severe (174): SIGSEGV, segmentation fault occurred Image? ? ? ? ? ? ? PC? ? ? ? Routine? ? ? ? ? ? Line? ? ? ? Source lapw2? ? ? ? ? ? ? 0812197B? Unknown? ? ? ? ? ? ? Unknown? Unknown lapw2? ? ? ? ? ? ? 0809F9CF? read_vec_? ? ? ? ? ? ? ? ? 99 read_vec_tmp_.F lapw2? ? ? ? ? ? ? 0807FB2E? l2main_? ? ? ? ? ? ? ? ? 632? l2main_tmp_.F lapw2? ? ? ? ? ? ? 0809344B? MAIN__? ? ? ? ? ? ? ? ? ? 564? lapw2_tmp_.F lapw2? ? ? ? ? ? ? 0804A491? Unknown? ? ? ? ? ? ? Unknown? Unknown libc.so.6? ? ? ? ? 5620D8AC? Unknown? ? ? ? ? ? ? Unknown? Unknown lapw2? ? ? ? ? ? ? 0804A3D1? Unknown? ? ? ? ? ? ? Unknown? Unknown >>>? ? stop error >>>please tell me why this error occured and whats its solution. i will be very thankful to you. thanks and regards arqum hashmi _______________________________________________ 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... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120203/33edf760/attachment.htm>
