[Wien] lapwso crash

2012-02-13 Thread Gavin Abo
Nilton, That's surprising. Usually, Update 3 works and Update 8 doesn't. I can only guess that it is because you are using the static mkl libraries, whereas the dynamic libraries were likely used in other cases. Anyway, glad to hear that Update 8 is working well for you. Gavin On

[Wien] lapwso crash

2012-02-10 Thread Nilton
Dear Gavin, thanks a lot for the clues. I will to try. Nilton 2012/2/10 Gavin Abo gsabo at crimson.ua.edu Dear Nilton, The following steps might be useful: (1) You reported that you are using Update 2 of composer xe 2011. I would suggested trying Update 3, since there seems to be a lot of

[Wien] lapwso crash

2012-02-09 Thread Nilton
Dear Peter, I dont think so. I have used case.inso generated by initso_lapw. See below his content. WFFIL 4 0 0 llmax,ipr,kpot -10 1.5Emin, Emax 0 0 1 h,k,l (direction of magnetization) 0 number of atoms with

[Wien] lapwso crash

2012-02-09 Thread Gavin Abo
Dear Nilton, The following steps might be useful: (1) You reported that you are using Update 2 of composer xe 2011. I would suggested trying Update 3, since there seems to be a lot of success with this compiler version. If the error goes away with your compiler settings, then you will know

[Wien] lapwso crash

2012-02-08 Thread Nilton
Dear wien users, I am calculating band structure of PbS with SO coupling. When I run lapwso I got the error mensage -- [nilton at bodesking case]$ x lapwso forrtl: severe (174):

[Wien] lapwso crash

2012-02-08 Thread Peter Blaha
Wrong case.inso file ??? Am 08.02.2012 20:49, schrieb Nilton: Dear wien users, I am calculating band structure of PbS with SO coupling. When I run lapwso I got the error mensage