[Wien] if : Expression Syntax. New installation in supercomputer. Need help.
Pranjal Nandi
pnandi at ub.edu
Mon Jun 10 18:15:42 CEST 2024
Dear Community,
Hello.
I started using a supercomputer recently and installed the WIEN2K 23.2.
While running run_lapw -ec 0.001, I am getting the following unexpected end to the SCF cycle.
LAPW0 END
LAPW1 END
LAPW2 END
CORE END
MIXER END
if: Expression Syntax.
And after this, if I run the run_lapw -ec 0.001 -NI for 2-3 times individually, I am getting the following error.
LAPW0 END
LAPW1 END
LAPW2 END
CORE END
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libpthread-2.28.s 000015348EA01C20 Unknown Unknown Unknown
libmkl_def.so.2 0000153482C32755 Unknown Unknown Unknown
libmkl_def.so.2 0000153482C39628 mkl_lapack_ps_def Unknown Unknown
libmkl_core.so.2 0000153485F07E3C mkl_lapack_dgeev Unknown Unknown
libmkl_intel_lp64 000015348D6D5F2D mkl_lapack__dgeev Unknown Unknown
mixer 000000000048087A ispositive_ 121 ModeBracket.f
mixer 000000000047FF95 modebracket_ 34 ModeBracket.f
mixer 000000000044FC53 modeswitch_ 73 ModeSwitch.f
mixer 0000000000462462 qmix9_ 904 qmix9.f
mixer 000000000041BCEE MAIN__ 1565 mixer.F
mixer 0000000000404BDD Unknown Unknown Unknown
libc-2.28.so 00001534852C9493 __libc_start_main Unknown Unknown
mixer 0000000000404AFE Unknown Unknown Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libpthread-2.28.s 000015348EA01C20 Unknown Unknown Unknown
libiomp5.so 000015348E0F6271 Unknown Unknown Unknown
libiomp5.so 000015348E0FEA76 Unknown Unknown Unknown
ld-2.28.so 000015348EC1EC96 Unknown Unknown Unknown
libc-2.28.so 00001534852DFB0C Unknown Unknown Unknown
libc-2.28.so 00001534852DFC40 on_exit Unknown Unknown
mixer 000000000049028A Unknown Unknown Unknown
mixer 0000000000404549 Unknown Unknown Unknown
libpthread-2.28.s 000015348EA01C20 Unknown Unknown Unknown
libmkl_def.so.2 0000153482C32755 Unknown Unknown Unknown
libmkl_def.so.2 0000153482C39628 mkl_lapack_ps_def Unknown Unknown
libmkl_core.so.2 0000153485F07E3C mkl_lapack_dgeev Unknown Unknown
libmkl_intel_lp64 000015348D6D5F2D mkl_lapack__dgeev Unknown Unknown
mixer 000000000048087A ispositive_ 121 ModeBracket.f
mixer 000000000047FF95 modebracket_ 34 ModeBracket.f
mixer 000000000044FC53 modeswitch_ 73 ModeSwitch.f
mixer 0000000000462462 qmix9_ 904 qmix9.f
mixer 000000000041BCEE MAIN__ 1565 mixer.F
mixer 0000000000404BDD Unknown Unknown Unknown
libc-2.28.so 00001534852C9493 __libc_start_main Unknown Unknown
mixer 0000000000404AFE Unknown Unknown Unknown
> stop error
They dayfile is as the following.
start (Mon Jun 10 18:06:16 CEST 2024) with lapw0 (40/99 to go)
cycle 1 (Mon Jun 10 18:06:16 CEST 2024) (40/99 to go)
> lapw0 (18:06:16) 2.245u 0.088s 0:00.55 421.8% 0+0k 0+0io 0pf+0w
> lapw1 (18:06:16) 15.769u 0.892s 0:04.19 397.3% 0+0k 0+0io 0pf+0w
> lapw2 (18:06:21) 4.391u 0.372s 0:01.22 390.1% 0+0k 0+0io 0pf+0w
> lcore (18:06:22) 0.015u 0.020s 0:00.03 100.0% 0+0k 0+0io 0pf+0w
> mixer (18:06:23)
Intel MKL ERROR: Parameter 3 was incorrect on entry to DGEBAL.
0.331u 0.043s 0:00.08 462.5% 0+0k 0+0io 0pf+0w
error: command /gpfs/data/fs71973/pranjal222/src/wien2k/mixer mixer.def failed
> stop error
Calculating TiC in /home/fs71973/pranjal222/WIEN2k/TiC
on l50.vsc.xcat with PID 3206379
using WIEN2k_23.2 (Release 9/3/2022) in /gpfs/data/fs71973/pranjal222/src/wien2k
start (Mon Jun 10 18:06:16 CEST 2024) with lapw0 (40/99 to go)
cycle 1 (Mon Jun 10 18:06:16 CEST 2024) (40/99 to go)
> lapw0 (18:06:16) 2.245u 0.088s 0:00.55 421.8% 0+0k 0+0io 0pf+0w
> lapw1 (18:06:16) 15.769u 0.892s 0:04.19 397.3% 0+0k 0+0io 0pf+0w
> lapw2 (18:06:21) 4.391u 0.372s 0:01.22 390.1% 0+0k 0+0io 0pf+0w
> lcore (18:06:22) 0.015u 0.020s 0:00.03 100.0% 0+0k 0+0io 0pf+0w
> mixer (18:06:23)
Intel MKL ERROR: Parameter 3 was incorrect on entry to DGEBAL.
0.331u 0.043s 0:00.08 462.5% 0+0k 0+0io 0pf+0w
error: command /gpfs/data/fs71973/pranjal222/src/wien2k/mixer mixer.def failed
> stop error
I am absolutely lost at this stage and have no clue how to fix it.
Strangely, I also dont see any stdout. I only see dayfile. What could be the reason?
It would be very helpful if someone can kindly help me.
Regards,
Pranjal
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