<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Dear prof. P </span>BLAHA<span>,</span></div><div><span><br></span></div><div><span>yes this error is reproducible and </span>again occured when i run another scf cycle.</div><div><span style="font-weight: bold; text-decoration: underline;"><br></span></div><div><span style="font-weight: bold; text-decoration: underline;">lapw1.def gives this output</span> <br></div><div>4,'TiC.klist', 'unknown','formatted',0<br> 5,'TiC.in1', 'old', 'formatted',0<br> 6,'TiC.output1','unknown','formatted',0<br>10,'./TiC.vector', 'unknown','unformatted',9000<br>11,'TiC.energy', 'unknown','formatted',0<br>18,'TiC.vsp', 'old',
'formatted',0<br>19,'TiC.vns', 'unknown','formatted',0<br>20,'TiC.struct', 'old', 'formatted',0<br>21,'TiC.scf1', 'unknown','formatted',0<br>55,'TiC.vec', 'unknown','formatted',0<br>71,'TiC.nsh', 'unknown','formatted',0<br>200,'./TiC.storeHinv', 'replace','unformatted',9000</div><div><br><span style="font-weight: bold; text-decoration: underline;"></span></div><div><span style="font-weight: bold; text-decoration: underline;"><br></span></div><div><span style="font-weight: bold; text-decoration: underline;"> lapw2.def give this </span><br></div><div>2,'TiC.nsh', 'unknown','formatted',0<br> 3,'TiC.in1', 'unknown','formatted',0<br> 4,'TiC.inso',
'unknown','formatted',0<br> 5,'TiC.in2', 'old', 'formatted',0<br> 6,'TiC.output2','unknown','formatted',0<br> 7,'TiC.vorb','unknown','formatted',0<br> 8,'TiC.clmval','unknown','formatted',0<br>10,'./TiC.vector', 'unknown','unformatted',9000<br>11,'TiC.weight', 'unknown','formatted',0<br>13,'TiC.recprlist', 'unknown','unformatted',9000<br>14,'TiC.kgen', 'unknown','formatted',0<br>15,'TiC.tmp', 'unknown','unformatted',0<br>16,'TiC.qtl', 'unknown','formatted',0<br>17,'TiC.weightaver','unknown','formatted',0<br>18,'TiC.vsp', 'old', 'formatted',0<br>19,'TiC.vns', 'unknown','formatted',0<br>20,'TiC.struct',
'old', 'formatted',0<br>21,'TiC.scf2', 'unknown','formatted',0<br>22,'TiC.rotlm', 'unknown', 'formatted',0<br>23,'TiC.radwf', 'unknown', 'formatted',0<br>24,'TiC.almblm', 'unknown', 'formatted',0<br>26,'TiC.weigh', 'unknown','unformatted',0<br>27,'TiC.weighdn', 'unknown','unformatted',0<br>29,'TiC.energydn','unknown','formatted',0<br>30,'TiC.energy', 'unknown','formatted',0<br>32,'TiC.qdmft', 'unknown', 'formatted',0<br>34,'TiC.oubwin', 'unknown', 'formatted',0<br>231,'TiC.dmftsym', 'unknown', 'formatted',0<br> </div><div>and also i have enough memory to work on wien2k.</div><div><br></div><div><br></div>now is this information is enough to solve that what is going wrong.<br><br>thanks and Regards<br> <div
style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Peter Blaha <pblaha@theochem.tuwien.ac.at><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Sunday, January 29, 2012 11:28 PM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] urgent help required<br> </font> </div> <br>
We need more information:<br><br>Is this error reproducible ? Does it occur again when you run another scf cycle (run_lapw) ?<br><br>cat lapw1.def<br>cat lapw2.def<br><br>ls -alsrt *vector (or if you are using $SCRATCH: ls -alsrt $SCRATCH/*.vector )<br><br>do you have enough disk space ( df) ?<br><br><br>Am 30.01.2012 07:03, schrieb arqum hashmi:<br>><br>><br>> Dear wien2k users ,<br>> my system is Intel(R) Xeon(R) CPU E5440 @ 2.83GHz. i used suse linux.<br>> i used ifort compiler 10.1.008 and mkl library is 10.1.0.015.<br>> i installed the wien2k version 11 succesfully.<br>> after installing succesfully, i run the example of TiC. when i run the Scf cycle it gives this error below.<br>><br>> LAPW0 END<br>> LAPW1 END<br>> forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>> Image PC Routine
Line Source<br>> lapw2 0812197B Unknown Unknown Unknown<br>> lapw2 0809F9CF read_vec_ 99 read_vec_tmp_.F<br>> lapw2 0807FB2E l2main_ 632 l2main_tmp_.F<br>> lapw2 0809344B MAIN__ 564 lapw2_tmp_.F<br>> lapw2 0804A491 Unknown Unknown Unknown<br>> libc.so.6
5620D8AC Unknown Unknown Unknown<br>> lapw2 0804A3D1 Unknown Unknown Unknown<br>><br>>> stop error<br>><br>> please tell me why this error occured and whats its solution. i will be very thankful to you.<br>> thanks and regards<br>> arqum hashmi<br>><br>><br>><br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br><br>-- <br><br>
P.Blaha<br>--------------------------------------------------------------------------<br>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>Email: <a ymailto="mailto:blaha@theochem.tuwien.ac.at" href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WWW: http://info.tuwien.ac.at/theochem/<br>--------------------------------------------------------------------------<br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br><br><br> </div> </div> </div></body></html>