Could you post the case.struct, the details of the initialization and your run_lapw command?
I would like to try to reproduce this, as we are facing a similar problem with 12.1 in some large cells that are not so comfortable for further testing (in our case, it happens only with FOR in case.in2 -- did you have TOT or FOR in your first iteration?). Stefaan On 1/10/2012 15:43, yedu kondalu wrote: > Dear users and experts, > > So far, we are doing calculations using WIEN2k 11.1 version and we > updated to the latest version of WIEN2k 12.1. Using 12.1 version, the > calculations are not terminated in the 1st iteration (we checked for few > compounds) by giving the following error. While the same case.struct > file is used for the calculations in WIEN2k 11.1 and the scf calculation > completed successfully. > As an example I attached one structure file, which is giving the > following error. > > hup: Command not found. > LAPW0 END > LAPW1 END > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line Source > lapw2 00000000004383C8 fermi_tetra_ 518 > fermi_tmp_.F > lapw2 000000000043799C fermi_ 111 > fermi_tmp_.F > lapw2 0000000000467E7B MAIN__ 278 > lapw2_tmp_.F > lapw2 0000000000403CAC Unknown Unknown Unknown > libc.so.6 00002AFB29215D8E Unknown Unknown Unknown > lapw2 0000000000403BA9 Unknown Unknown Unknown > > > stop error > > Can you please help me to get out of this problem ? Thanks in advance. > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >