Re: [Wien] Error in lapw2 running in the LDA+U calculation in parallel mode

2016-01-02 Thread hassan jamnejad
Dear wien users, thank for your attention, based on your advise I checked “STDOUT“ and “parallel” files . Below is the details . *STDOUT* . . . STOP LAPW1 END real0m5.669s user 0m16.792s sys 0m0.992s STOP LAPW2 - FERMI; weighs written STOP STOP LAPW2 END LAPW2

Re: [Wien] Error in lapw2 running in the LDA+U calculation in parallel mode

2016-01-01 Thread Gavin Abo
Since the crash happens in lapw2, in the lapw2para_lapw script file, it looks like messages might be written to the .time2_*, .stdout2_*, or :parallel files depending on the settings in your parallel_options and .machines file. So you could try checking for error messages in these files with

[Wien] Error in lapw2 running in the LDA+U calculation in parallel mode

2016-01-01 Thread hassan jamnejad
Dear Prof. Peter Blaha, I want to do a LDA+U calculation for a compound, First I ran SCF calculation using 4 x 8 (= 32 processors) in my cluster . But the job terminates with the following errors in dayfile: *** LAPW2 crashed!* *1.6u 3.1s 0:07.72 61.7% 0+0k 0+1776io 0pf+0w* *error: command