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VASSERT: ASSERTION FAILURE! filename /home/ubuntu/git/apbs-pdb2pqr/apbs/src/mg/vgrid.c, line 193, (0) #16

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SehrishJamal opened this issue Mar 4, 2022 · 1 comment

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@SehrishJamal
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On executing the example 2BG9 by using APBS-3.0.0 with given inputs I am encountering ASSERTION error. Do you have any clue whats happening here?

Volume integral = 0.00e+00 A^3
Reading kappa map data from kappa_prot_Mm.dx.gz:
0 x 0 x 0 grid
(0, 0, 0) A spacings
(0, 0, 0) A lower corner
Volume integral = 0.00e+00 A^3
Reading kappa map data from kappa_prot_Sm.dx.gz:
0 x 0 x 0 grid
(0, 0, 0) A spacings
(0, 0, 0) A lower corner
Volume integral = 0.00e+00 A^3
Reading kappa map data from kappa_cpx_Lm.dx.gz:
0 x 0 x 0 grid
(0, 0, 0) A spacings
(0, 0, 0) A lower corner
Volume integral = 0.00e+00 A^3
Reading kappa map data from kappa_cpx_Mm.dx.gz:
0 x 0 x 0 grid
(0, 0, 0) A spacings
(0, 0, 0) A lower corner
Volume integral = 0.00e+00 A^3
Reading kappa map data from kappa_cpx_Sm.dx.gz:
0 x 0 x 0 grid
(0, 0, 0) A spacings
(0, 0, 0) A lower corner
Volume integral = 0.00e+00 A^3
Got paths for 6 charge maps
Reading charge map data from charge_prot_Lm.dx.gz:
0 x 0 x 0 grid
(0, 0, 0) A spVgrid_value: Error -- no data available!
VASSERT: ASSERTION FAILURE! filename /home/ubuntu/git/apbs-pdb2pqr/apbs/src/mg/vgrid.c, line 193, (0)
-- job complete: results in job_0000.out

@orbeckst
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Not sure — we recently realized that we really only ran the code with apbs 1.4 — which is very old.

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