Dear wien developers and users<br> When running the calculations for a layered perovskites including both U value and spin-orbit coupling, I get an error in LAPW2 as LAPW2 crashed. <br>The error appears something like this on case.dayfile<br>
r6i3n6 5.272u 0.424s 0:05.75 98.9% 0+0k 0+0io 0pf+0w<br> r6i3n6 5.296u 0.424s 0:05.76 99.1% 0+0k 0+0io 0pf+0w<br> Summary of lapw2para:<br> r6i3n6 user=453.968 wallclock=465.99<br> r6i3n7 user=429.956 wallclock=439.77<br>
r6i3n12 user=438.872 wallclock=449.03<br> r8i2n9 user=447.128 wallclock=457.32<br>4.608u 2.968s 2:24.59 5.2% 0+0k 0+0io 0pf+0w<br>> lapw2 -c -dn -so -p (16:29:16) running LAPW2 in parallel mode<br>
** LAPW2 crashed!<br>1.532u 1.832s 2:19.33 2.4% 0+0k 0+0io 0pf+0w<br>error: command /home/ghimire123/WIEN2k_11/lapw2cpara -dn -c -so dnlapw2.def failed<br> <br>Similarly when I checked the error file, the error appeared as (note: dot (.....) after LAPWSO indicates LAPW2 END). <br>
....................<br> LAPWSO END<br>LAPWSO END<br>LAPW2 - FERMI; weighs written<br> LAPW2 END<br> ................<br> LAPW2 END<br> LAPW2 END<br> SUMPARA END<br>LAPW2 - FERMI; weighs written<br> LAPW2 END<br> ..................<br>
LAPW2 END<br>L2main - QTL-B Error<br> LAPW2 END<br> .................<br>LAPW2 END<br>L2main - QTL-B Error<br> LAPW2 END<br> .................<br> LAPW2 END<br> LAPW2 END<br>cp: cannot stat `.in.tmp': No such file or directory<br>
rm: cannot remove `.in.tmp': No such file or directory<br>rm: cannot remove `.in.tmp1': No such file or directory<br><br clear="all">I have submitted the similar kind of error for lapwso for which I did not get any prompt reply.<br>
This happens when I am running the program in parallel mode. In serial mode, it works fine but becomes very slow.<br>Please help me to solve this matter.<br>Thank you in advance<br>Best wishes<br><br>-- <br>M. P. Ghimire<br>
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