Dear users, I have encountered an error, when I run a calculation with the following command: --------------------------------- runsp_c_lapw -so -orb -i 1 -NI --------------------------------- runsp_c_lapw -so -orbdu -i 1 -NI ---------------------------------
> stop error > lapwdm -up -so -c (20:24:07) 0.013u 0.003s 0:00.01 100.0% 0+0k 0+32io > 0pf+0w 293.138u 7.564s 1:32.55 324.8% 0+0k 0+18760io 0pf+0w 0.416628272698630 1583.85827165264 1584.10827166790 > lapw2 -c -up -so (20:22:35) WARNING: EF not accurate, new > emin,emax,NE-min,NE-max 0.416628272687763 > lapwso -up -c -orb (20:17:07) 489.129u 23.690s 5:27.07 156.7% 0+0k > 0+3635432io 0pf+0w copy Cd6Yb.vectorup to Cd6Yb.vectordn 228.674u 12.790s 1:37.37 247.9% 0+0k 0+1364784io 0pf+0w > lapw1 -c -up (20:15:25) IPASS set to 1 in lopw.f > lapw0 (20:14:20) 64.412u 0.525s 1:05.15 99.6% 0+0k 0+29200io 0pf+0w I use WIEN2k ver. 12 on CentOS 6 x86_64. Best Regards, M. Inukai
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