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<div class="moz-cite-prefix"><i>I calculated x lapw 2 -fermi -so and
this step was without any error</i> <= Seems to be a
non-parallel calculation (no -p).<br>
<br>
So your optic step likely needs to be non-parallel (x optic -so).
If that is not the cause of the error, then it might be due to a
wrong case.inop or case.vectorso file [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11209.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11209.html</a>
].<br>
<br>
Also, be mindful with spin-orbit that optic does not support RLO's
(in case.inso) [ <a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/limitations/">http://www.wien2k.at/reg_user/limitations/</a> ].<br>
<br>
On 12/27/2014 4:08 AM, mitra narimani wrote:<br>
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cite="mid:CAMRahv9MK-HynYi5dJEbTXpUMjFiV=KrWX6zJDyeN4h-io3V-Q@mail.gmail.com"
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<div align="left">,Dear all</div>
<div align="left"> 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</div>
<div align="left">Commandline: <b>x optic -p -so -c</b><br>
Program input is: <b>""</b> <br>
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<pre>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
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<div style="TEXT-ALIGN:left">
<div style="TEXT-ALIGN:left">,Thank you</div>
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<div style="TEXT-ALIGN:left"> Mitra Narimani</div>
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