Dear Prof Peter and Gavin I am getting strange error that I never seen. I had computed band structure without any error previously with same configuration.
I am not sure this is Wien2k issue of any other. So I am posting this mail with a hope for help. I installed latest Wien2k without any error with mkl+ifort(2013). During installation I kept RP as RP_LIBS:-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 $(R_LIBS). LAPW2 was crashed with following error: The error messages are #[bhamu/gga]$ cat job.* Got 32 slots. LAPW0 END bash: 0: command not found bash: 0: command not found bash: 0: command not found ******* *similar more lines********** bash: 0: command not found bash: 0: command not found bash: 0: command not found gga.scf1_1: No such file or directory. grep: *scf1*: No such file or directory FERMI - Error cp: cannot stat `.in.tmp': No such file or directory * >> above contents are from job.err file* Got 32 slots. #bhamu/gga 32 nodes for this job: compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 32 nodes for this job: compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-17 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 compute-11-22 > stop error * >>>>>> These above are the contents from job.out filecontents of the day file: * Summary of lapw1para: compute-11-17 k=32 user=0.008 wallclock=483.33 compute-11-22 k=22 user=0.007 wallclock=500 2.239u 8.033s 0:16.78 61.1% 0+0k 24+8176io 0pf+0w > lapw2 -p (18:16:17) running LAPW2 in parallel mode ** LAPW2 crashed! 0.128u 0.405s 0:01.11 46.8% 0+0k 0+528io 134pf+0w error: command /bhamu/Wien2k/lapw2para lapw2.def failed > stop error [bhamu/gga]$ Sincerely Bhamu
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