[Wien] (no subject)

2012-01-23 Thread Yin Wanjian
Dear WIEN2K users, I just compiled WIEN2k_09.2 on linux supercomputer using Intel-10.0.023 and mkl-10.0.023. There is no problem to compile all the excutable files. But When I tried to run the run_lapw -p -i 40 -ec .001 -I. There is always something wrong as following in case.daylife

[Wien] lapw1cpara -c lawp1.def failed

2012-01-23 Thread Yin Wanjian
Dear WIEN2K users, I just compiled WIEN2k_09.2 on linux supercomputer using Intel-10.0.023 and mkl-10.0.023. There is no problem to compile all the excutable files. But When I tried to run the run_lapw -p -i 40 -ec .001 -I. There is always something wrong as following in case.daylife file:

[Wien] (no subject)

2009-07-09 Thread Yin Wanjian
Dear Wien2K users, I am running new wien version 09.1 on a HP cluster machine with Linux operating system, fortran compiler pgi5.1. I want to do structural relaxation with spin-polarization. The program always stop after the first ionic motion and the last few lines in