Dear Prof. Peter Blaha and Wien2k Users, I was trying to compile WIEN2k_11 version in HPC redhat-5.6 with intel fortran compiler (composer_xe_2011_sp1.6.233) and with open mpi-1.4.3 version. I could able to compile with out any error. Now I am submitting trial job through the script. For the two atom systems it is running fine (Example TiC ), but when I am running more than two atom system I am getting error in lapw1.
Here is my dayfile > lapw1 -p (11:07:49) starting parallel lapw1 at Fri Mar 16 11:07:49 IST > 2012 -> starting parallel LAPW1 jobs at Fri Mar 16 11:07:49 IST 2012 running LAPW1 in parallel mode (using .machines) 2 number_of_parallel_jobs cn009(5) 0.126u 0.014s 0:00.70 18.5% 0+0k 0+0io 5pf+0w cn009(5) 0.130u 0.011s 0:00.30 46.6% 0+0k 0+0io 0pf+0w ** LAPW1 crashed! 0.286u 0.133s 0:07.64 5.3% 0+0k 0+0io 6pf+0w error: command /home/lapw1para lapw1.def failed > stop error Can any one help me to rectify this error. -- Swetarekha Ram,