[Wien] Re if : Expression Syntax. New installation in supercomputer. Need help.
Laurence Marks
laurence.marks at gmail.com
Tue Jun 11 11:31:07 CEST 2024
If Check-mixer has no content then something went very wrong -- it did not
run a single cycle. Do cat *.error, at least one of the prior codes failed.
Also look at *day file. You have to find the error code before we can say
if it is an installation or user error
---
Professor Laurence Marks (Laurie)
www.numis.northwestern.edu
https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi
On Tue, Jun 11, 2024, 18:43 Pranjal Nandi <pnandi at ub.edu> wrote:
> Dear Laurence
>
>
>
> Check-mixing gave no output.
>
>
>
> The struct file is of TiC (
> https://ubarcelona-my.sharepoint.com/:u:/g/personal/pnandi_ub_edu/EbP00byMDupDup4si5M14T8Br58CxZJf9VgJW74lwCh6mA?e=UsGjSs
> )
>
>
>
> Initialised using init_lapw -prec 1
>
>
>
> Is there a way to check if the installation was done correctly?
>
>
>
> 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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