[Wien] error in run_lapw

2010-10-23 Thread mohaddeseh abbasnejad
Dear Dr. Blaha, Thanks for your reply. I have tested it for some examples including TiC, Rutile TiO2. and in all cases, it has failed to run any more. Yours, On Fri, Oct 22, 2010 at 10:37 AM, Peter Blaha pblaha at theochem.tuwien.ac.atwrote: First of all, you should always upgrade to the

[Wien] error in run_lapw

2010-10-23 Thread Peter Blaha
Maybe a problem with the old compiler / mkl version ? Am 23.10.2010 08:56, schrieb mohaddeseh abbasnejad: Dear Dr. Blaha, Thanks for your reply. I have tested it for some examples including TiC, Rutile TiO2. and in all cases, it has failed to run any more. Yours, On Fri, Oct 22, 2010

[Wien] error in run_lapw

2010-10-22 Thread Peter Blaha
First of all, you should always upgrade to the latest WIEN2k version. Second: You do not tell us any detail about the calculations. Is this TiC ? Could you run anything and only one particular case produces an error ? Nobody can help you without details. Am 21.10.2010 19:56, schrieb

[Wien] error in run_lapw

2010-10-21 Thread mohaddeseh abbasnejad
Dear users, I have installed wien version 9 successfully (without any error) on my computer (Linux CentOs 5.4, 2.6.18-164.el5 # x86_64 GNU/Linux), fortran compiler ifort 10, using these commands: O Compiler options:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback L

[Wien] error in run_lapw

2010-10-21 Thread mohaddeseh abbasnejad
Dear users, I have installed wien version 9 successfully (without any error) on my computer (Linux CentOs 5.4, 2.6.18-164.el5 # x86_64 GNU/Linux), fortran compiler ifort 10, using these commands: O Compiler options:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback L