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>
