,Dear all I calculated the band strucure and DOS of two half Heusler compounds( LuPdBi ,ScPdBi). There wasnt any problem about these calculations in present of spin orbit interaction.For optical properties I calulated x lapw 2 -fermi -so and this step was without any error but, in x optic -so -p this error apears. please help me Commandline: *x optic -p -so -c* Program input is: *""*
running OPTIC in parallel mode [1] 21499 [2] 21521 OPTIC END real 0m1.008s user 0m0.989s sys 0m0.018s forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source opticc 000000000041D4E7 outmat_ 76 outmat.f opticc 000000000042F668 mom_mat_ 642 sph-UP_tmp.f opticc 000000000041C167 MAIN__ 453 opmain.f opticc 000000000040336C Unknown Unknown Unknown libc.so.6 0000003B2C81EE5D Unknown Unknown Unknown opticc 0000000000403269 Unknown Unknown Unknown real 0m0.920s user 0m0.912s sys 0m0.008s [2] - Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop [1] + Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop [1] 21545 [2] 21580 OPTIC END real 0m1.011s user 0m0.994s sys 0m0.016s forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source opticc 000000000041D4E7 outmat_ 76 outmat.f opticc 000000000042F668 mom_mat_ 642 sph-UP_tmp.f opticc 000000000041C167 MAIN__ 453 opmain.f opticc 000000000040336C Unknown Unknown Unknown libc.so.6 0000003B2C81EE5D Unknown Unknown Unknown opticc 0000000000403269 Unknown Unknown Unknown real 0m0.172s user 0m0.168s sys 0m0.004s [2] - Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop [1] + Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop [1] 21604 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source opticc 000000000041D4E7 outmat_ 76 outmat.f opticc 000000000042F668 mom_mat_ 642 sph-UP_tmp.f opticc 000000000041C167 MAIN__ 453 opmain.f opticc 000000000040336C Unknown Unknown Unknown libc.so.6 0000003B2C81EE5D Unknown Unknown Unknown opticc 0000000000403269 Unknown Unknown Unknown real 0m0.618s user 0m0.604s sys 0m0.015s [1] + Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop [1] 21645 [2] 21667 OPTIC END real 0m1.003s user 0m0.984s sys 0m0.017s forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source opticc 000000000041D4E7 outmat_ 76 outmat.f opticc 000000000042F668 mom_mat_ 642 sph-UP_tmp.f opticc 000000000041C167 MAIN__ 453 opmain.f opticc 000000000040336C Unknown Unknown Unknown libc.so.6 0000003B2C81EE5D Unknown Unknown Unknown opticc 0000000000403269 Unknown Unknown Unknown real 0m0.282s user 0m0.276s sys 0m0.006s [2] - Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop [1] + Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop [1] 21691 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source opticc 000000000041D4E7 outmat_ 76 outmat.f opticc 000000000042F668 mom_mat_ 642 sph-UP_tmp.f opticc 000000000041C167 MAIN__ 453 opmain.f opticc 000000000040336C Unknown Unknown Unknown libc.so.6 0000003B2C81EE5D Unknown Unknown Unknown opticc 0000000000403269 Unknown Unknown Unknown real 0m0.185s user 0m0.180s sys 0m0.004s [1] + Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop [1] 21714 OPTIC END real 0m0.071s user 0m0.066s sys 0m0.005s [1] + Done ( $remote $machine[$p] "cd $PWD;$t $taskset0 $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]" ) >> .timeop_$loop ** OPTIC crashed! 0.128u 0.196s 0:09.26 3.3% 0+0k 0+1024io 0pf+0w error: command /usr/local/codes/v13.1/opticcpara -c -so optic.def failed ,Thank you Mitra Narimani
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