##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:11:55 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 1030 atoms
Valist_getStatistics:  Max atom coordinate:  (38.718, 30.831, 26.635)
Valist_getStatistics:  Min atom coordinate:  (2.834, -10.739, -8.857)
Valist_getStatistics:  Molecule center:  (20.776, 10.046, 8.889)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 24.6319
Vpbe_ctor2:  solute dimensions = 39.264 x 45.002 x 38.452
Vpbe_ctor2:  solute charge = -8
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 75 x 75 x 75 table
Vclist_ctor2:  Using 75 x 75 x 75 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (47.1162, 52.8022, 46.7242)
Vclist_setupGrid:  Grid lower corner = (-2.7821, -16.3551, -14.4731)
Vclist_assignAtoms:  Have 2370782 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.000533
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 1.315670e-01
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.667000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 3.417080e-01
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 8.353200e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 5.549916e-02
Vprtstp: contraction number = 5.549916e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 7.126504e-03
Vprtstp: contraction number = 1.284074e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.133430e-03
Vprtstp: contraction number = 1.590443e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 2.205358e-04
Vprtstp: contraction number = 1.945739e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 5.139803e-05
Vprtstp: contraction number = 2.330598e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 1.418756e-05
Vprtstp: contraction number = 2.760332e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 4.405093e-06
Vprtstp: contraction number = 3.104897e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 1.444090e-06
Vprtstp: contraction number = 3.278227e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 4.844202e-07
Vprtstp: contraction number = 3.354503e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 7.326270e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 1.427371e+00
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 1.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 2.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 1.680140e+00
##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:11:56 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 1325 atoms
Valist_getStatistics:  Max atom coordinate:  (36.598, 39.626, 29.348)
Valist_getStatistics:  Min atom coordinate:  (3.755, -9.404, -7.59)
Valist_getStatistics:  Molecule center:  (20.1765, 15.111, 10.879)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 29.1921
Vpbe_ctor2:  solute dimensions = 35.243 x 52.105 x 39.338
Vpbe_ctor2:  solute charge = 5
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 70 x 75 x 75 table
Vclist_ctor2:  Using 70 x 75 x 75 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (44.0752, 60.2622, 48.1702)
Vclist_setupGrid:  Grid lower corner = (-1.8611, -15.0201, -13.2061)
Vclist_assignAtoms:  Have 2640675 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.000637
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 1.240250e-01
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.361000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 4.241000e-02
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 2.217420e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 6.083787e-02
Vprtstp: contraction number = 6.083787e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 9.442333e-03
Vprtstp: contraction number = 1.552049e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.854048e-03
Vprtstp: contraction number = 1.963548e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 4.576487e-04
Vprtstp: contraction number = 2.468376e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 1.382756e-04
Vprtstp: contraction number = 3.021435e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 4.863877e-05
Vprtstp: contraction number = 3.517524e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 1.872403e-05
Vprtstp: contraction number = 3.849609e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 7.620672e-06
Vprtstp: contraction number = 4.069996e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 3.209821e-06
Vprtstp: contraction number = 4.211992e-01
Vprtstp: iteration = 10
Vprtstp: relative residual = 1.381915e-06
Vprtstp: contraction number = 4.305271e-01
Vprtstp: iteration = 11
Vprtstp: relative residual = 6.048743e-07
Vprtstp: contraction number = 4.377074e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 6.217530e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 6.838060e-01
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 1.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 2.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 9.549980e-01
##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:11:57 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 1136 atoms
Valist_getStatistics:  Max atom coordinate:  (41.398, 32.443, 28.278)
Valist_getStatistics:  Min atom coordinate:  (3.252, -10.204, -7.347)
Valist_getStatistics:  Molecule center:  (22.325, 11.1195, 10.4655)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 25.4644
Vpbe_ctor2:  solute dimensions = 40.879 x 45.047 x 38.335
Vpbe_ctor2:  solute charge = 6
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 75 x 75 x 75 table
Vclist_ctor2:  Using 75 x 75 x 75 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (49.3782, 53.8792, 46.8572)
Vclist_setupGrid:  Grid lower corner = (-2.3641, -15.8201, -12.9631)
Vclist_assignAtoms:  Have 2446602 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.001599
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 1.002410e-01
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.219000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 4.600000e-02
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 1.713790e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 5.340707e-02
Vprtstp: contraction number = 5.340707e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 8.234777e-03
Vprtstp: contraction number = 1.541889e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.781921e-03
Vprtstp: contraction number = 2.163897e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 4.875748e-04
Vprtstp: contraction number = 2.736232e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 1.527722e-04
Vprtstp: contraction number = 3.133308e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 5.231039e-05
Vprtstp: contraction number = 3.424078e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 1.911560e-05
Vprtstp: contraction number = 3.654264e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 7.333072e-06
Vprtstp: contraction number = 3.836173e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 2.914799e-06
Vprtstp: contraction number = 3.974868e-01
Vprtstp: iteration = 10
Vprtstp: relative residual = 1.191344e-06
Vprtstp: contraction number = 4.087225e-01
Vprtstp: iteration = 11
Vprtstp: relative residual = 4.981690e-07
Vprtstp: contraction number = 4.181571e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 6.069910e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 6.668340e-01
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 2.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 2.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 8.922760e-01
##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:11:57 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 1383 atoms
Valist_getStatistics:  Max atom coordinate:  (41.116, 36.557, 29.47)
Valist_getStatistics:  Min atom coordinate:  (3.421, -10.178, -16.093)
Valist_getStatistics:  Molecule center:  (22.2685, 13.1895, 6.6885)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 29.6036
Vpbe_ctor2:  solute dimensions = 40.095 x 50.115 x 47.963
Vpbe_ctor2:  solute charge = 7
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 75 x 75 x 75 table
Vclist_ctor2:  Using 75 x 75 x 75 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (48.9272, 57.9672, 56.7952)
Vclist_setupGrid:  Grid lower corner = (-2.1951, -15.7941, -21.7091)
Vclist_assignAtoms:  Have 2408134 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.001054
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 8.955100e-02
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.556000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 4.311100e-02
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 1.700920e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 5.909343e-02
Vprtstp: contraction number = 5.909343e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 8.511815e-03
Vprtstp: contraction number = 1.440400e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.473163e-03
Vprtstp: contraction number = 1.730728e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 3.077546e-04
Vprtstp: contraction number = 2.089073e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 7.489542e-05
Vprtstp: contraction number = 2.433609e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 2.059804e-05
Vprtstp: contraction number = 2.750240e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 6.119467e-06
Vprtstp: contraction number = 2.970898e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 1.897858e-06
Vprtstp: contraction number = 3.101346e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 6.044483e-07
Vprtstp: contraction number = 3.184897e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 4.724530e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 5.456470e-01
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 2.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 2.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 7.575090e-01
##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:11:58 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 1149 atoms
Valist_getStatistics:  Max atom coordinate:  (42.577, 30.742, 27.451)
Valist_getStatistics:  Min atom coordinate:  (1.557, -7.975, -9.181)
Valist_getStatistics:  Molecule center:  (22.067, 11.3835, 9.135)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 28.4118
Vpbe_ctor2:  solute dimensions = 44.172 x 41.452 x 39.312
Vpbe_ctor2:  solute charge = 5
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 75 x 75 x 75 table
Vclist_ctor2:  Using 75 x 75 x 75 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (52.2522, 49.9492, 47.8642)
Vclist_setupGrid:  Grid lower corner = (-4.0591, -13.5911, -14.7971)
Vclist_assignAtoms:  Have 2473847 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.000557
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 9.053800e-02
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.309000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 4.814000e-02
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 1.619550e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 5.548441e-02
Vprtstp: contraction number = 5.548441e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 8.272961e-03
Vprtstp: contraction number = 1.491043e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.756173e-03
Vprtstp: contraction number = 2.122786e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 5.059741e-04
Vprtstp: contraction number = 2.881118e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 1.739177e-04
Vprtstp: contraction number = 3.437286e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 6.505110e-05
Vprtstp: contraction number = 3.740337e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 2.541194e-05
Vprtstp: contraction number = 3.906458e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 1.014424e-05
Vprtstp: contraction number = 3.991919e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 4.106833e-06
Vprtstp: contraction number = 4.048438e-01
Vprtstp: iteration = 10
Vprtstp: relative residual = 1.676275e-06
Vprtstp: contraction number = 4.081673e-01
Vprtstp: iteration = 11
Vprtstp: relative residual = 6.890326e-07
Vprtstp: contraction number = 4.110499e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 6.261920e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 6.886770e-01
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 2.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 2.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 9.017970e-01
##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:11:59 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 986 atoms
Valist_getStatistics:  Max atom coordinate:  (39.88, 33.001, 29.407)
Valist_getStatistics:  Min atom coordinate:  (0.48, -8.062, -7.503)
Valist_getStatistics:  Molecule center:  (20.18, 12.4695, 10.952)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 25.5283
Vpbe_ctor2:  solute dimensions = 41.8 x 44.495 x 39.31
Vpbe_ctor2:  solute charge = 5
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 75 x 75 x 75 table
Vclist_ctor2:  Using 75 x 75 x 75 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (50.6322, 52.2952, 48.1422)
Vclist_setupGrid:  Grid lower corner = (-5.1361, -13.6781, -13.1191)
Vclist_assignAtoms:  Have 2081401 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.000486
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 9.180700e-02
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.344000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 3.403000e-02
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 1.574020e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 5.410554e-02
Vprtstp: contraction number = 5.410554e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 7.416878e-03
Vprtstp: contraction number = 1.370817e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.330898e-03
Vprtstp: contraction number = 1.794419e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 2.995765e-04
Vprtstp: contraction number = 2.250934e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 8.028938e-05
Vprtstp: contraction number = 2.680096e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 2.420347e-05
Vprtstp: contraction number = 3.014530e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 7.800951e-06
Vprtstp: contraction number = 3.223071e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 2.612291e-06
Vprtstp: contraction number = 3.348683e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 9.000231e-07
Vprtstp: contraction number = 3.445340e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 4.853270e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 5.527910e-01
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 1.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 2.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 7.618580e-01
##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:11:59 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 1036 atoms
Valist_getStatistics:  Max atom coordinate:  (38.712, 31.155, 26.894)
Valist_getStatistics:  Min atom coordinate:  (4.594, -10.446, -8.109)
Valist_getStatistics:  Molecule center:  (21.653, 10.3545, 9.3925)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 24.2665
Vpbe_ctor2:  solute dimensions = 36.798 x 45.039 x 37.403
Vpbe_ctor2:  solute charge = -6
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 73 x 75 x 74 table
Vclist_ctor2:  Using 73 x 75 x 74 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (45.3502, 52.8332, 46.2352)
Vclist_setupGrid:  Grid lower corner = (-1.0221, -16.0621, -13.7251)
Vclist_assignAtoms:  Have 2395853 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.000502
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 9.923500e-02
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.320000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 3.856600e-02
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 1.679720e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 5.566850e-02
Vprtstp: contraction number = 5.566850e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 8.746012e-03
Vprtstp: contraction number = 1.571088e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.810352e-03
Vprtstp: contraction number = 2.069918e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 4.687654e-04
Vprtstp: contraction number = 2.589360e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 1.472179e-04
Vprtstp: contraction number = 3.140545e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 5.367298e-05
Vprtstp: contraction number = 3.645820e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 2.170462e-05
Vprtstp: contraction number = 4.043863e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 9.436513e-06
Vprtstp: contraction number = 4.347699e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 4.316627e-06
Vprtstp: contraction number = 4.574388e-01
Vprtstp: iteration = 10
Vprtstp: relative residual = 2.047272e-06
Vprtstp: contraction number = 4.742760e-01
Vprtstp: iteration = 11
Vprtstp: relative residual = 9.951665e-07
Vprtstp: contraction number = 4.860938e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 5.916940e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 6.610470e-01
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 2.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 2.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 8.788100e-01
##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:12:00 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 1015 atoms
Valist_getStatistics:  Max atom coordinate:  (41.172, 33.193, 28.648)
Valist_getStatistics:  Min atom coordinate:  (3.592, -8.5, -7.885)
Valist_getStatistics:  Molecule center:  (22.382, 12.3465, 10.3815)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 25.1695
Vpbe_ctor2:  solute dimensions = 39.98 x 44.373 x 38.933
Vpbe_ctor2:  solute charge = 6
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 75 x 75 x 75 table
Vclist_ctor2:  Using 75 x 75 x 75 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (48.8122, 52.9252, 47.7652)
Vclist_setupGrid:  Grid lower corner = (-2.0241, -14.1161, -13.5011)
Vclist_assignAtoms:  Have 2198156 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.003810
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 1.126770e-01
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.255000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 3.803700e-02
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 2.011490e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 5.969163e-02
Vprtstp: contraction number = 5.969163e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 8.461256e-03
Vprtstp: contraction number = 1.417494e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.683581e-03
Vprtstp: contraction number = 1.989753e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 4.319797e-04
Vprtstp: contraction number = 2.565838e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 1.320810e-04
Vprtstp: contraction number = 3.057575e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 4.465053e-05
Vprtstp: contraction number = 3.380541e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 1.621296e-05
Vprtstp: contraction number = 3.631079e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 6.158009e-06
Vprtstp: contraction number = 3.798201e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 2.415033e-06
Vprtstp: contraction number = 3.921775e-01
Vprtstp: iteration = 10
Vprtstp: relative residual = 9.700103e-07
Vprtstp: contraction number = 4.016551e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 5.572920e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 6.170250e-01
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 1.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 2.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 8.737930e-01
##############################################################################
# MC-shell I/O capture file.
# Creation Date and Time:  Thu Mar  7 16:12:00 2024

##############################################################################
Hello world from PE 0
Vnm_tstart: starting timer 26 (APBS WALL CLOCK)..
NOsh_parseInput:  Starting file parsing...
NOsh: Parsing READ section
NOsh: Storing molecule 0 path dum.pqr
NOsh: Done parsing READ section
NOsh: Done parsing READ section (nmol=1, ndiel=0, nkappa=0, ncharge=0, npot=0)
NOsh: Parsing ELEC section
NOsh_parseMG: Parsing parameters for MG calculation
NOsh_parseMG:  Parsing dime...
PBEparm_parseToken:  trying dime...
MGparm_parseToken:  trying dime...
NOsh_parseMG:  Parsing nlev...
PBEparm_parseToken:  trying nlev...
MGparm_parseToken:  trying nlev...
NOsh_parseMG:  Parsing glen...
PBEparm_parseToken:  trying glen...
MGparm_parseToken:  trying glen...
NOsh_parseMG:  Parsing gcent...
PBEparm_parseToken:  trying gcent...
MGparm_parseToken:  trying gcent...
NOsh_parseMG:  Parsing mol...
PBEparm_parseToken:  trying mol...
NOsh_parseMG:  Parsing lpbe...
PBEparm_parseToken:  trying lpbe...
NOsh: parsed lpbe
NOsh_parseMG:  Parsing bcfl...
PBEparm_parseToken:  trying bcfl...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing ion...
PBEparm_parseToken:  trying ion...
NOsh_parseMG:  Parsing pdie...
PBEparm_parseToken:  trying pdie...
NOsh_parseMG:  Parsing sdie...
PBEparm_parseToken:  trying sdie...
NOsh_parseMG:  Parsing chgm...
PBEparm_parseToken:  trying chgm...
MGparm_parseToken:  trying chgm...
NOsh_parseMG:  Parsing srfm...
PBEparm_parseToken:  trying srfm...
NOsh_parseMG:  Parsing srad...
PBEparm_parseToken:  trying srad...
NOsh_parseMG:  Parsing swin...
PBEparm_parseToken:  trying swin...
NOsh_parseMG:  Parsing temp...
PBEparm_parseToken:  trying temp...
NOsh_parseMG:  Parsing gamma...
PBEparm_parseToken:  trying gamma...
MGparm_parseToken:  trying gamma...
NOsh_parseMG:  Parsing write...
PBEparm_parseToken:  trying write...
NOsh_parseMG:  Parsing end...
MGparm_check:  checking MGparm object of type 0.
NOsh:  nlev = 5, dime = (65, 65, 65)
NOsh: Done parsing ELEC section (nelec = 1)
NOsh: Done parsing file (got QUIT)
Valist_readPQR: Counted 1045 atoms
Valist_getStatistics:  Max atom coordinate:  (39.312, 31.88, 28.239)
Valist_getStatistics:  Min atom coordinate:  (4.396, -7.178, -6.452)
Valist_getStatistics:  Molecule center:  (21.854, 12.351, 10.8935)
NOsh_setupCalc:  Mapping ELEC statement 0 (1) to calculation 0 (1)
Vnm_tstart: starting timer 27 (Setup timer)..
Setting up PBE object...
Vpbe_ctor2:  solute radius = 24.8757
Vpbe_ctor2:  solute dimensions = 37.316 x 42.213 x 37.371
Vpbe_ctor2:  solute charge = -2
Vpbe_ctor2:  bulk ionic strength = 0.05
Vpbe_ctor2:  xkappa = 0.07374
Vpbe_ctor2:  Debye length = 13.5612
Vpbe_ctor2:  zkappa2 = 0.424132
Vpbe_ctor2:  zmagic = 7042.98
Vpbe_ctor2:  Constructing Vclist with 74 x 75 x 74 table
Vclist_ctor2:  Using 74 x 75 x 74 hash table
Vclist_ctor2:  automatic domain setup.
Vclist_ctor2:  Using 2 max radius
Vclist_setupGrid:  Grid lengths = (46.1482, 50.2902, 45.9232)
Vclist_setupGrid:  Grid lower corner = (-1.2201, -12.7941, -12.0681)
Vclist_assignAtoms:  Have 2525049 atom entries
Vacc_storeParms:  Surf. density = 0
Vacc_storeParms:  Max area = 196.563
Vacc_storeParms:  Using 0-point reference sphere
Setting up PDE object...
Vpmp_ctor2:  Using meth = 2, mgsolv = 1
Setting PDE center to local center...
Vpmg_fillco:  filling in source term.
fillcoCharge:  Calling fillcoChargeSpline1...
Vpmg_fillco:  filling in source term.
Vpmg_fillco:  marking ion and solvent accessibility.
fillcoCoef:  Calling fillcoCoefMol...
Vacc_SASA: Time elapsed: 0.000507
Vpmg_fillco:  done filling coefficient arrays
Vpmg_fillco:  filling boundary arrays
Vpmg_fillco:  done filling boundary arrays
Vnm_tstop: stopping timer 27 (Setup timer).  CPU TIME = 9.340200e-02
Vnm_tstart: starting timer 28 (Solver timer)..
Vnm_tstart: starting timer 30 (Vmgdrv2: fine problem setup)..
Vbuildops: Fine: (065, 065, 065)
Vbuildops: Operator stencil (lev, numdia) = (1, 4)
Vnm_tstop: stopping timer 30 (Vmgdrv2: fine problem setup).  CPU TIME = 8.294000e-03
Vnm_tstart: starting timer 30 (Vmgdrv2: coarse problem setup)..
Vbuildops: Galer: (033, 033, 033)
Vbuildops: Galer: (017, 017, 017)
Vbuildops: Galer: (009, 009, 009)
Vbuildops: Galer: (005, 005, 005)
Vnm_tstop: stopping timer 30 (Vmgdrv2: coarse problem setup).  CPU TIME = 3.800200e-02
Vnm_tstart: starting timer 30 (Vmgdrv2: solve)..
Vnm_tstop: stopping timer 40 (MG iteration).  CPU TIME = 1.539930e-01
Vprtstp: iteration = 0
Vprtstp: relative residual = 1.000000e+00
Vprtstp: contraction number = 1.000000e+00
Vprtstp: iteration = 1
Vprtstp: relative residual = 4.739766e-02
Vprtstp: contraction number = 4.739766e-02
Vprtstp: iteration = 2
Vprtstp: relative residual = 6.594819e-03
Vprtstp: contraction number = 1.391381e-01
Vprtstp: iteration = 3
Vprtstp: relative residual = 1.277038e-03
Vprtstp: contraction number = 1.936427e-01
Vprtstp: iteration = 4
Vprtstp: relative residual = 3.302682e-04
Vprtstp: contraction number = 2.586205e-01
Vprtstp: iteration = 5
Vprtstp: relative residual = 9.963391e-05
Vprtstp: contraction number = 3.016757e-01
Vprtstp: iteration = 6
Vprtstp: relative residual = 3.199833e-05
Vprtstp: contraction number = 3.211591e-01
Vprtstp: iteration = 7
Vprtstp: relative residual = 1.050403e-05
Vprtstp: contraction number = 3.282679e-01
Vprtstp: iteration = 8
Vprtstp: relative residual = 3.489981e-06
Vprtstp: contraction number = 3.322518e-01
Vprtstp: iteration = 9
Vprtstp: relative residual = 1.176010e-06
Vprtstp: contraction number = 3.369673e-01
Vprtstp: iteration = 10
Vprtstp: relative residual = 4.001947e-07
Vprtstp: contraction number = 3.402988e-01
Vnm_tstop: stopping timer 30 (Vmgdrv2: solve).  CPU TIME = 5.544290e-01
Vnm_tstop: stopping timer 28 (Solver timer).  CPU TIME = 6.057220e-01
Vpmg_setPart:  lower corner = (-26.651, -34.853, -36.54)
Vpmg_setPart:  upper corner = (69.349, 61.147, 59.46)
Vpmg_setPart:  actual minima = (-26.651, -34.853, -36.54)
Vpmg_setPart:  actual maxima = (69.349, 61.147, 59.46)
Vpmg_setPart:  bflag[FRONT] = 0
Vpmg_setPart:  bflag[BACK] = 0
Vpmg_setPart:  bflag[LEFT] = 0
Vpmg_setPart:  bflag[RIGHT] = 0
Vpmg_setPart:  bflag[UP] = 0
Vpmg_setPart:  bflag[DOWN] = 0
Vnm_tstart: starting timer 29 (Energy timer)..
Vnm_tstop: stopping timer 29 (Energy timer).  CPU TIME = 1.000000e-06
Vnm_tstart: starting timer 30 (Force timer)..
Vnm_tstop: stopping timer 30 (Force timer).  CPU TIME = 1.000000e-06
Vnm_tstop: stopping timer 26 (APBS WALL CLOCK).  CPU TIME = 8.249510e-01
