<div dir="auto"><div>It looks like either clmextrapol failed or lapw0. More specific information may be in *.error (e.g. cat *.error) or by reading the appropriate lapw0.output0* and similar, looking at the end. Please see the mailing list instructions for what is needed, e.g. your struct file.</div><div dir="auto"><br></div><div dir="auto">However, you are using Wien2k 14, i.e. a version that is 7 years old. Why? Many, many improvements have been made and bugs cured. While you probably have an error in what you are doing, there is a small chance that it is in your obsolete version.</div><div dir="auto"><br></div><div dir="auto">If you have a legal version you should update. I do suspect that it is not legal....<br><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Sat, May 15, 2021, 04:03 Karima Karim <<a href="mailto:karimaphy@yahoo.fr">karimaphy@yahoo.fr</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="font-family:Helvetica Neue,Helvetica,Arial,sans-serif;font-size:13px"><div>dear wien2k users</div><div><br></div> <div dir="ltr"><span>I am using wien2k 14 in ubuntu 16.04 and when I run optimisation, , I am getting the errors . I could not solve this problem.please help me</span><span></span></div><div><br></div><div dir="ltr"> <div><pre>STOP DSTART ENDS
12.3u 0.0s 0:12.49 98.9% 0+0k 0+560io 0pf+0w
STOP DSTART ENDS
13.1u 0.0s 0:13.17 99.8% 0+0k 0+576io 0pf+0w
running dstart in single mode
STOP DSTART ENDS
18.3u 0.0s 0:18.41 99.7% 0+0k 24+592io 0pf+0w
0.1u 0.0s 0:00.14 92.8% 0+0k 48+536io 1pf+0w
clmextrapol_lapw has generated a new SrZrO3.clmsum
hup: Command not found.
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
STOP LAPW0 END
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP LAPW1 END
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DENORMAL
STOP LAPW2 END
STOP CORE END
*** Error in `/home/mounir/wien2k/mixer': malloc(): memory corruption: 0x0997ad00 ***
======= Backtrace: =========
/lib/i386-linux-gnu/libc.so.6(+0x67387)[0x40241387]
/lib/i386-linux-gnu/libc.so.6(+0x6d307)[0x40247307]
/lib/i386-linux-gnu/libc.so.6(+0x6f432)[0x40249432]
/lib/i386-linux-gnu/libc.so.6(__libc_malloc+0xc5)[0x4024b085]
/lib/i386-linux-gnu/libc.so.6(strndup+0x2c)[0x4024f3fc]
/usr/lib/i386-linux-gnu/libgfortran.so.3(+0x1334c)[0x4006b34c]
/usr/lib/i386-linux-gnu/libgfortran.so.3(+0xb3784)[0x4010b784]
/usr/lib/i386-linux-gnu/libgfortran.so.3(+0xc28bd)[0x4011a8bd]
/home/mounir/wien2k/mixer[0x804a49d]
/home/mounir/wien2k/mixer[0x805647b]
/home/mounir/wien2k/mixer[0x80493be]
/lib/i386-linux-gnu/libc.so.6(__libc_start_main+0xf7)[0x401f2647]
/home/mounir/wien2k/mixer[0x80493df]
======= Memory map: ========
08048000-08145000 r-xp 00000000 08:17 1838483 /home/mounir/wien2k/mixer
08145000-08146000 r--p 000fc000 08:17 1838483 /home/mounir/wien2k/mixer
08146000-08147000 rw-p 000fd000 08:17 1838483 /home/mounir/wien2k/mixer
08147000-081c0000 rw-p 00000000 00:00 0
09940000-099a4000 rw-p 00000000 00:00 0 [heap]
40016000-40039000 r-xp 00000000 08:15 654166 /lib/i386-linux-gnu/<a href="http://ld-2.23.so" target="_blank" rel="noreferrer">ld-2.23.so</a>
40039000-4003a000 r--p 00022000 08:15 654166 /lib/i386-linux-gnu/<a href="http://ld-2.23.so" target="_blank" rel="noreferrer">ld-2.23.so</a>
4003a000-4003b000 rw-p 00023000 08:15 654166 /lib/i386-linux-gnu/<a href="http://ld-2.23.so" target="_blank" rel="noreferrer">ld-2.23.so</a>
4003b000-4003d000 r--p 00000000 00:00 0 [vvar]
4003d000-4003e000 r-xp 00000000 00:00 0 [vdso]
4003e000-40040000 rw-p 00000000 00:00 0
40058000-40165000 r-xp 00000000 08:15 786938 /usr/lib/i386-linux-gnu/libgfortran.so.3.0.0
40165000-40166000 ---p 0010d000 08:15 786938 /usr/lib/i386-linux-gnu/libgfortran.so.3.0.0
40166000-40167000 r--p 0010d000 08:15 786938 /usr/lib/i386-linux-gnu/libgfortran.so.3.0.0
40167000-40168000 rw-p 0010e000 08:15 786938 /usr/lib/i386-linux-gnu/libgfortran.so.3.0.0
40168000-401bb000 r-xp 00000000 08:15 654172 /lib/i386-linux-gnu/<a href="http://libm-2.23.so" target="_blank" rel="noreferrer">libm-2.23.so</a>
401bb000-401bc000 r--p 00052000 08:15 654172 /lib/i386-linux-gnu/<a href="http://libm-2.23.so" target="_blank" rel="noreferrer">libm-2.23.so</a>
401bc000-401bd000 rw-p 00053000 08:15 654172 /lib/i386-linux-gnu/<a href="http://libm-2.23.so" target="_blank" rel="noreferrer">libm-2.23.so</a>
401bd000-401d9000 r-xp 00000000 08:15 655654 /lib/i386-linux-gnu/libgcc_s.so.1
401d9000-401da000 rw-p 0001b000 08:15 655654 /lib/i386-linux-gnu/libgcc_s.so.1
401da000-4038a000 r-xp 00000000 08:15 654224 /lib/i386-linux-gnu/<a href="http://libc-2.23.so" target="_blank" rel="noreferrer">libc-2.23.so</a>
4038a000-4038b000 ---p 001b0000 08:15 654224 /lib/i386-linux-gnu/<a href="http://libc-2.23.so" target="_blank" rel="noreferrer">libc-2.23.so</a>
4038b000-4038d000 r--p 001b0000 08:15 654224 /lib/i386-linux-gnu/<a href="http://libc-2.23.so" target="_blank" rel="noreferrer">libc-2.23.so</a>
4038d000-4038e000 rw-p 001b2000 08:15 654224 /lib/i386-linux-gnu/<a href="http://libc-2.23.so" target="_blank" rel="noreferrer">libc-2.23.so</a>
4038e000-40391000 rw-p 00000000 00:00 0
40391000-40423000 r-xp 00000000 08:15 791447 /usr/lib/i386-linux-gnu/libquadmath.so.0.0.0
40423000-40424000 r--p 00091000 08:15 791447 /usr/lib/i386-linux-gnu/libquadmath.so.0.0.0
40424000-40425000 rw-p 00092000 08:15 791447 /usr/lib/i386-linux-gnu/libquadmath.so.0.0.0
40425000-40909000 rw-p 00000000 00:00 0
40a00000-40a21000 rw-p 00000000 00:00 0
40a21000-40b00000 ---p 00000000 00:00 0
bf95b000-bf97d000 rw-p 00000000 00:00 0 [stack]
Program received signal SIGABRT: Process abort signal.
Backtrace for this error:
#0 0x4006BC66
#1 0x4006AD0E
#2 0x4003DC13
#3 0x4003DC31
#4 0x40205EB8
#5 0x40207416
#6 0x4024138B
#7 0x40247306
#8 0x40249431
#9 0x4024B084
#10 0x4024F3FB
#11 0x4006B34B
#12 0x4010B783
#13 0x4011A8BC
#14 0x804A49C in integrn_
#15 0x805647A in MAIN__ at mixer.F:?
> stop error
ERROR status in SrZrO3_vol_-10.0
</pre>
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