Hello, I am running many elastic property workflow calculations and the runs seem to complete properly as indicated by the vasp.out output, however at the completion of the run when the VASP job completes VASP exits with a bad status (segfault).
Ultimately the VASP run completes and the necessary output files are written however VASP signals a bad status which makes Fireworks and Atomate believe the job didn’t run properly.
Are there any suggestions for overcoming this bad exit status given by VASP at the end of the run to prevent Fireworks from detecting a Fizzled job? i.e. would you recommend recompiling VASP, or some tag to provide to Fireworks to ignore certain VASP exit statuses?
last lines of output from ‘vasp.out’:
DAV: 16 -0.229026603320E+02 0.88618E-06 -0.99512E-07 75516 0.408E-03
1 F= -.22902660E+02 E0= -.22902660E+02 d E =-.229027E+02 mag= 0.0000
curvature: 0.00 expect dE= 0.000E+00 dE for cont linesearch 0.000E+00
trial: gam= 0.00000 g(F)= 0.346E-06 g(S)= 0.000E+00 ort = 0.000E+00 (trialstep = 0.100E+01)
search vector abs. value= 0.346E-06
reached required accuracy - stopping structural energy minimisation
selected output from ‘stderr.txt’:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
vasp_std 0000000001571F61 Unknown Unknown Unknown
vasp_std 000000000157009B Unknown Unknown Unknown
vasp_std 00000000014EFE74 Unknown Unknown Unknown
vasp_std 00000000014EFC86 Unknown Unknown Unknown
vasp_std 000000000148CFC7 Unknown Unknown Unknown
vasp_std 0000000001493BF0 Unknown Unknown Unknown
libpthread-2.12.s 0000003C4A60F790 Unknown Unknown Unknown
vasp_std 0000000000866553 Unknown Unknown Unknown
vasp_std 000000000085B28E Unknown Unknown Unknown
vasp_std 000000000085E9E6 Unknown Unknown Unknown
vasp_std 000000000131A030 Unknown Unknown Unknown
vasp_std 000000000040DFDE Unknown Unknown Unknown
libc-2.12.so 0000003C4A21ED5D __libc_start_main Unknown Unknown
vasp_std 000000000040DEE9 Unknown Unknown Unknown
Thanks!
-Dennis