[Wien] urgent help required
Hi, The information you provided is not enough to help you. There were some similar posts in the mailing list, e.g.: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-November/011702.html http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-November/011703.html There is also a description of possible reasons of the error in a mailing list of another calculation package: http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html Search for more information in WIEN2k mailing list. Providing your options can be a good idea. Best regards, Maxim Rakitin Young researcher SUSU, Chelyabinsk, Russia email: rms85 at physics.susu.ac.ru web: http://www.susu.ac.ru 30.01.2012 12:03, 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 PCRoutineLineSource 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/20120130/3812af2a/attachment.htm
[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 PCRoutineLineSource 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 -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] urgent help required
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. 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? Commandline: x lapw2 Program input is: *** glibc detected *** /home/gavin/WIEN2k/lapw2: double free or corruption (!prev): 0x02a25660 *** === 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 at 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 PCRoutineLineSource lapw2 0812197B Unknown Unknown Unknown lapw2 0809F9CF read_vec_ 99 read_vec_tmp_.F lapw2 0807FB2E l2main_ 632
[Wien] urgent help required
No. What about the answers to: ls -alsrt *vector (when you are in the tic subdirectory). df If everything looks normal, we cannot help you from here. Eventually, you would need to put some print statements into read_vec.f to see what is happening. Otherwise maybe the problem comes form your ifort compiler. I cannot remember if there were problems with ifort compiler 10.1.008 and mkl library is 10.1.0.015 Please check the mailing list. 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 at 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 mailto:Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at mailto:blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at mailto: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 -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
[Wien] urgent help required
try to switch off optimization -O0 or use 11.1.075 (comes with mkl included) in 10.x or older one had to take care sometimes that the some libraries have the same version for ifort and mkl (some crashes occured when mixing different versions, but I don't remember the cases correctly anymore) in new versions one should not have that trouble because compiler and mkl come always together, at least if one does not start updateritis and mixes them again. 32 bit ?? Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Peter Blaha [pblaha at theochem.tuwien.ac.at] Gesendet: Montag, 30. Januar 2012 09:51 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] urgent help required No. What about the answers to: ls -alsrt *vector (when you are in the tic subdirectory). df If everything looks normal, we cannot help you from here. Eventually, you would need to put some print statements into read_vec.f to see what is happening. Otherwise maybe the problem comes form your ifort compiler. I cannot remember if there were problems with ifort compiler 10.1.008 and mkl library is 10.1.0.015 Please check the mailing list. 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 at 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 mailto:Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at mailto:blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at mailto: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 -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
[Wien] urgent help required
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): 0x02a25660 *** === 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 at 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
[Wien] urgent help required
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 PCRoutineLineSource 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 Unknownstop error please tell me why this error occured and whats its solution. i will be very thankful to you. thanks and regards arqum hashmi -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120129/633892e5/attachment.htm
[Wien] urgent help required
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 at 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 -- ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300? ? ? ? ? ? FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at? ? WWW: http://info.tuwien.ac.at/theochem/ -- ___ 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/20120129/0205d72b/attachment-0001.htm
[Wien] urgent help required
Dear wien2k users , i installed the wien2k version 11. after installing succesfully, i run the example of TiC. when i run the Scf cycle it gives this error. LAPW0 END LAPW1 END forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PCRoutineLineSource 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 Unknownstop error please tell me why this error occured and whats its solution. i will be very thankful to you. thanks and regards arqum hashmi -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120126/4ba9fb36/attachment.htm
