VTT-ProperTune / OpenPFC

Open-source solver for phase field crystal type (PFC) type problems.
GNU Affero General Public License v3.0
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Restart is not working #38

Closed ahojukka5 closed 2 months ago

ahojukka5 commented 6 months ago

Restart is not working, at least not for aluminum model. Fix it and write unit test to make sure it works.

ahojukka5 commented 6 months ago

Input file:

{
    "model": {
        "name": "tungsten",
        "params": {
            "n0": -0.10,
            "alpha": 0.50,
            "n_sol": -0.047,
            "n_vap": -0.464,
            "T": 3300.0,
            "T0": 156000.0,
            "Bx": 0.8582,
            "alpha_farTol": 0.001,
            "alpha_highOrd": 4,
            "lambda": 0.22,
            "stabP": 0.2,
            "shift_u": 0.3341,
            "shift_s": 0.1898,
            "p2": 1.0,
            "p3": -0.5,
            "p4": 0.333333333,
            "q20": -0.0037,
            "q21": 1.0,
            "q30": -12.4567,
            "q31": 20.0,
            "q40": 45.0
        }
    },
    "Lx": 128,
    "Ly": 128,
    "Lz": 128,
    "dx": 1.1,
    "dy": 1.1,
    "dz": 1.1,
    "origo": "center",
    "t0": 0.0,
    "t1": 10.0,
    "dt": 1.0,
    "saveat": 1.0,
    "results": "/tmp/psi_%d.bin",
    "fields": [
        {
            "name": "psi",
            "data": "/tmp/pfc/tungsten/psi_%d.bin"
        }
    ],
    "initial_conditions": [
        {
            "type": "constant",
            "n0": -0.4
        },
        {
            "type": "single_seed",
            "amp_eq": 0.216,
            "rho_seed": -0.047
        }
    ]
}

Results:

MPI_Init(): initialized 1 processes
Reading simulation settings from stdin

Reading configuration from json file:
{
    "Lx": 128,
    "Ly": 128,
    "Lz": 128,
    "dt": 1.0,
    "dx": 1.1,
    "dy": 1.1,
    "dz": 1.1,
    "fields": [
        {
            "data": "/tmp/pfc/tungsten/psi_%d.bin",
            "name": "psi"
        }
    ],
    "initial_conditions": [
        {
            "n0": -0.4,
            "type": "constant"
        },
        {
            "amp_eq": 0.216,
            "rho_seed": -0.047,
            "type": "single_seed"
        }
    ],
    "model": {
        "name": "tungsten",
        "params": {
            "Bx": 0.8582,
            "T": 3300.0,
            "T0": 156000.0,
            "alpha": 0.5,
            "alpha_farTol": 0.001,
            "alpha_highOrd": 4,
            "lambda": 0.22,
            "n0": -0.1,
            "n_sol": -0.047,
            "n_vap": -0.464,
            "p2": 1.0,
            "p3": -0.5,
            "p4": 0.333333333,
            "q20": -0.0037,
            "q21": 1.0,
            "q30": -12.4567,
            "q31": 20.0,
            "q40": 45.0,
            "shift_s": 0.1898,
            "shift_u": 0.3341,
            "stabP": 0.2
        }
    },
    "origo": "center",
    "results": "/tmp/psi_%d.bin",
    "saveat": 1.0,
    "t0": 0.0,
    "t1": 10.0
}

World: (Lx = 128, Ly = 128, Lz = 128, x0 = -70.400, y0 = -70.400, z0 = -70.400, x1 = 70.400, y1 = 70.400, z0 = 70.400, dx = 1.100, dy = 1.100, dz = 1.100)
backend options: options = (fft1d:contiguous, mpi:alltoallv, decomposition:pencil, mpi:from-gpu)

Initializing model... 
Adding results writers
Results dir "/tmp/pfc/tungsten" does not exist, creating
Writing field psi to /tmp/pfc/tungsten/psi_%d.bin
Adding initial conditions
Creating initial condition from data {"n0":-0.4,"type":"constant"}
Creating initial condition from data {"amp_eq":0.216,"rho_seed":-0.047,"type":"single_seed"}
WARNING: no boundary conditions are set!
Applying initial conditions
First increment: apply boundary conditions
Step 1 done in 0.238 s (0.173 s FFT, 0.064 s other). Simulation time: 1.000 / 10.000 (10.000 % done). ETA: 2s
Step 2 done in 0.234 s (0.169 s FFT, 0.065 s other). Simulation time: 2.000 / 10.000 (20.000 % done). ETA: 1s
Step 3 done in 0.317 s (0.238 s FFT, 0.079 s other). Simulation time: 3.000 / 10.000 (30.000 % done). ETA: 2s
Step 4 done in 0.236 s (0.170 s FFT, 0.066 s other). Simulation time: 4.000 / 10.000 (40.000 % done). ETA: 1s
Step 5 done in 0.240 s (0.175 s FFT, 0.066 s other). Simulation time: 5.000 / 10.000 (50.000 % done). ETA: 1s
Step 6 done in 0.239 s (0.173 s FFT, 0.066 s other). Simulation time: 6.000 / 10.000 (60.000 % done). ETA: 0s
Step 7 done in 0.235 s (0.169 s FFT, 0.066 s other). Simulation time: 7.000 / 10.000 (70.000 % done). ETA: 0s
Step 8 done in 0.317 s (0.238 s FFT, 0.079 s other). Simulation time: 8.000 / 10.000 (80.000 % done). ETA: 0s
Step 9 done in 0.234 s (0.168 s FFT, 0.066 s other). Simulation time: 9.000 / 10.000 (90.000 % done). ETA: 0s
Step 10 done in 0.236 s (0.169 s FFT, 0.066 s other). Simulation time: 10.000 / 10.000 (100.000 % done). ETA: 0s

Simulated 10 steps. Average times:
Step time:  0.253 s
FFT time:   0.184 s / 72.915 %
Other time: 0.068 s / 27.085 %

Then

juajukka@espvm2m2007:~/dev/openpfc$ sha256sum /tmp/pfc/tungsten/*
0af0ae3494c8b20db72046b3c059d4b4f266a13c58a1cd9efb71d46376390a0a  /tmp/pfc/tungsten/psi_0.bin
d721435c27fe3889754c0c42f60cba1fd169ed047905c9c283821a1fe89dacfb  /tmp/pfc/tungsten/psi_10.bin
e6d6cad66cef37df78b86eee02f771a6b17b4dd64483c875a7db6b9f4d491b97  /tmp/pfc/tungsten/psi_1.bin
f8e5a5da0cd30313226eb08bc00982a0ce50f36771355d29696721ce82b0c2ae  /tmp/pfc/tungsten/psi_2.bin
90749b405383983f258e987a7d48d5cc1fc24443dc861952ed3ef8df943bdbdc  /tmp/pfc/tungsten/psi_3.bin
507fdc2ffa5e396b726a2782afc5d20fa575c92a745320b2cddebd1364256433  /tmp/pfc/tungsten/psi_4.bin
913ce1c03d2592ca7a8e4bc9f3f229ee3b03b9bf321fd3a7bb3d3525df6c865b  /tmp/pfc/tungsten/psi_5.bin
f6d87c31efb3f49ba983e82476127485ccd689706c31213def170a3f001de99a  /tmp/pfc/tungsten/psi_6.bin
a7d0c19a8c18207cf8abf3dc6d88c28ec9522f27668c5d973092a82f261e9f98  /tmp/pfc/tungsten/psi_7.bin
a5d6cd17b41c1c1dcd58811e4240bece295cf0805cb3e47a27480327c050fde8  /tmp/pfc/tungsten/psi_8.bin
9a56ce2b54f54fcb9db0d03bce8b4cfb9c763e63d2cfb35b967919d66522915b  /tmp/pfc/tungsten/psi_9.bin
juajukka@espvm2m2007:/tmp/pfc/tungsten$ rm psi_5.bin psi_6.bin psi_7.bin psi_8.bin psi_9.bin psi_10.bin

Restart from file 4, new json is

{
    "model": {
        "name": "tungsten",
        "params": {
            "n0": -0.10,
            "alpha": 0.50,
            "n_sol": -0.047,
            "n_vap": -0.464,
            "T": 3300.0,
            "T0": 156000.0,
            "Bx": 0.8582,
            "alpha_farTol": 0.001,
            "alpha_highOrd": 4,
            "lambda": 0.22,
            "stabP": 0.2,
            "shift_u": 0.3341,
            "shift_s": 0.1898,
            "p2": 1.0,
            "p3": -0.5,
            "p4": 0.333333333,
            "q20": -0.0037,
            "q21": 1.0,
            "q30": -12.4567,
            "q31": 20.0,
            "q40": 45.0
        }
    },
    "Lx": 128,
    "Ly": 128,
    "Lz": 128,
    "dx": 1.1,
    "dy": 1.1,
    "dz": 1.1,
    "origo": "center",
    "t0": 0.0,
    "t1": 10.0,
    "dt": 1.0,
    "saveat": 1.0,
    "results": "/tmp/psi_%d.bin",
    "fields": [
        {
            "name": "psi",
            "data": "/tmp/pfc/tungsten/psi_%d.bin"
        }
    ],
    "initial_conditions": [
        {
            "type": "from_file",
            "filename": "/tmp/pfc/tungsten/psi_4.bin"
        }
    ],
    "simulator": {
        "result_counter": 4,
        "increment": 4
    }
}

Changes: change initial condition to from_file and give some initial values to result_counter and increment. Results:

MPI_Init(): initialized 1 processes
Reading input from file apps/tungsten_restart_1.json

Reading configuration from json file:
{
    "Lx": 128,
    "Ly": 128,
    "Lz": 128,
    "dt": 1.0,
    "dx": 1.1,
    "dy": 1.1,
    "dz": 1.1,
    "fields": [
        {
            "data": "/tmp/pfc/tungsten/psi_%d.bin",
            "name": "psi"
        }
    ],
    "initial_conditions": [
        {
            "filename": "/tmp/pfc/tungsten/psi_4.bin",
            "type": "from_file"
        }
    ],
    "model": {
        "name": "tungsten",
        "params": {
            "Bx": 0.8582,
            "T": 3300.0,
            "T0": 156000.0,
            "alpha": 0.5,
            "alpha_farTol": 0.001,
            "alpha_highOrd": 4,
            "lambda": 0.22,
            "n0": -0.1,
            "n_sol": -0.047,
            "n_vap": -0.464,
            "p2": 1.0,
            "p3": -0.5,
            "p4": 0.333333333,
            "q20": -0.0037,
            "q21": 1.0,
            "q30": -12.4567,
            "q31": 20.0,
            "q40": 45.0,
            "shift_s": 0.1898,
            "shift_u": 0.3341,
            "stabP": 0.2
        }
    },
    "origo": "center",
    "results": "/tmp/psi_%d.bin",
    "saveat": 1.0,
    "simulator": {
        "increment": 4,
        "result_counter": 4
    },
    "t0": 0.0,
    "t1": 10.0
}

World: (Lx = 128, Ly = 128, Lz = 128, x0 = -70.400, y0 = -70.400, z0 = -70.400, x1 = 70.400, y1 = 70.400, z0 = 70.400, dx = 1.100, dy = 1.100, dz = 1.100)
backend options: options = (fft1d:contiguous, mpi:alltoallv, decomposition:pencil, mpi:from-gpu)

Initializing model... 
Adding results writers
Warning: results dir "/tmp/pfc/tungsten" already exists
Writing field psi to /tmp/pfc/tungsten/psi_%d.bin
Adding initial conditions
Creating initial condition from data {"filename":"/tmp/pfc/tungsten/psi_4.bin","type":"from_file"}
WARNING: no boundary conditions are set!
Applying initial conditions
Reading initial condition from file/tmp/pfc/tungsten/psi_4.bin
Step 5 done in 0.239 s (0.173 s FFT, 0.066 s other). Simulation time: 5.000 / 10.000 (50.000 % done). ETA: 1s
Step 6 done in 0.231 s (0.166 s FFT, 0.065 s other). Simulation time: 6.000 / 10.000 (60.000 % done). ETA: 0s
Step 7 done in 0.235 s (0.170 s FFT, 0.065 s other). Simulation time: 7.000 / 10.000 (70.000 % done). ETA: 0s
Step 8 done in 0.236 s (0.171 s FFT, 0.065 s other). Simulation time: 8.000 / 10.000 (80.000 % done). ETA: 0s
Step 9 done in 0.233 s (0.168 s FFT, 0.065 s other). Simulation time: 9.000 / 10.000 (90.000 % done). ETA: 0s
Step 10 done in 0.233 s (0.169 s FFT, 0.064 s other). Simulation time: 10.000 / 10.000 (100.000 % done). ETA: 0s

Simulated 6 steps. Average times:
Step time:  0.235 s
FFT time:   0.169 s / 72.254 %
Other time: 0.065 s / 27.746 %

Check results:

0af0ae3494c8b20db72046b3c059d4b4f266a13c58a1cd9efb71d46376390a0a  /tmp/pfc/tungsten/psi_0.bin
d721435c27fe3889754c0c42f60cba1fd169ed047905c9c283821a1fe89dacfb  /tmp/pfc/tungsten/psi_10.bin
e6d6cad66cef37df78b86eee02f771a6b17b4dd64483c875a7db6b9f4d491b97  /tmp/pfc/tungsten/psi_1.bin
f8e5a5da0cd30313226eb08bc00982a0ce50f36771355d29696721ce82b0c2ae  /tmp/pfc/tungsten/psi_2.bin
90749b405383983f258e987a7d48d5cc1fc24443dc861952ed3ef8df943bdbdc  /tmp/pfc/tungsten/psi_3.bin
507fdc2ffa5e396b726a2782afc5d20fa575c92a745320b2cddebd1364256433  /tmp/pfc/tungsten/psi_4.bin
913ce1c03d2592ca7a8e4bc9f3f229ee3b03b9bf321fd3a7bb3d3525df6c865b  /tmp/pfc/tungsten/psi_5.bin
f6d87c31efb3f49ba983e82476127485ccd689706c31213def170a3f001de99a  /tmp/pfc/tungsten/psi_6.bin
a7d0c19a8c18207cf8abf3dc6d88c28ec9522f27668c5d973092a82f261e9f98  /tmp/pfc/tungsten/psi_7.bin
a5d6cd17b41c1c1dcd58811e4240bece295cf0805cb3e47a27480327c050fde8  /tmp/pfc/tungsten/psi_8.bin
9a56ce2b54f54fcb9db0d03bce8b4cfb9c763e63d2cfb35b967919d66522915b  /tmp/pfc/tungsten/psi_9.bin

For tungsten, this seems to work just fine. Next, for aluminum, input file is

{
    "model": {
        "name": "aluminum",
        "params": {
            "n0": -0.085,
            "alpha": 0.20,
            "n_sol": -0.023,
            "n_vap": -1.311,
            "T_const": 700,
            "T_min": 600,
            "T_max": 800,
            "T0": 89285.0,
            "Bx": 0.817900686921996,
            "G_grid": 0.0005,
            "V_grid": 0.002,
            "x_initial": 130,
            "alpha_farTol": 0.001,
            "alpha_highOrd": 0,
            "lambda": 0.22,
            "stabP": 0.0,
            "shift_u": 1.0,
            "shift_s": 0.0,
            "p2_bar": 0.8286531831,
            "p3_bar": -0.04204863,
            "p4_bar": 0.007533,
            "q20_bar": 0.016531729105214,
            "q21_bar": 5.467,
            "q30_bar": 1.7152418049986,
            "q31_bar": 0.45,
            "q40_bar": 0.787482
        }
    },
    "Lx": 128,
    "Ly": 128,
    "Lz": 128,
    "dx": 1.3603495232,
    "dy": 1.3603495232,
    "dz": 1.3603495232,
    "origo": "corner",
    "t0": 0.0,
    "t1": 10.0,
    "dt": 1.0,
    "saveat": 1.0,
    "fields": [
        {
            "name": "psi",
            "data": "/tmp/aluminum/psi_%04d.bin"
        }
    ],
    "initial_conditions": [
        {
            "type": "constant",
            "n0": 0.085
        },
        {
            "type": "seed_grid_fcc",
            "X0": 120.0,
            "Ny": 6,
            "Nz": 6,
            "radius": 300.0,
            "amplitude": 0.333,
            "rho": -0.023
        }
    ]
}

Results:

MPI_Init(): initialized 1 processes
Reading input from file apps/aluminum_restart_0.json

Reading configuration from json file:
{
    "Lx": 128,
    "Ly": 128,
    "Lz": 128,
    "dt": 1.0,
    "dx": 1.3603495232,
    "dy": 1.3603495232,
    "dz": 1.3603495232,
    "fields": [
        {
            "data": "/tmp/aluminum/psi_%04d.bin",
            "name": "psi"
        }
    ],
    "initial_conditions": [
        {
            "n0": 0.085,
            "type": "constant"
        },
        {
            "Ny": 6,
            "Nz": 6,
            "X0": 120.0,
            "amplitude": 0.333,
            "radius": 300.0,
            "rho": -0.023,
            "type": "seed_grid_fcc"
        }
    ],
    "model": {
        "name": "aluminum",
        "params": {
            "Bx": 0.817900686921996,
            "G_grid": 0.0005,
            "T0": 89285.0,
            "T_const": 700,
            "T_max": 800,
            "T_min": 600,
            "V_grid": 0.002,
            "alpha": 0.2,
            "alpha_farTol": 0.001,
            "alpha_highOrd": 0,
            "lambda": 0.22,
            "n0": -0.085,
            "n_sol": -0.023,
            "n_vap": -1.311,
            "p2_bar": 0.8286531831,
            "p3_bar": -0.04204863,
            "p4_bar": 0.007533,
            "q20_bar": 0.016531729105214,
            "q21_bar": 5.467,
            "q30_bar": 1.7152418049986,
            "q31_bar": 0.45,
            "q40_bar": 0.787482,
            "shift_s": 0.0,
            "shift_u": 1.0,
            "stabP": 0.0,
            "x_initial": 130
        }
    },
    "origo": "corner",
    "saveat": 1.0,
    "t0": 0.0,
    "t1": 10.0
}

World: (Lx = 128, Ly = 128, Lz = 128, x0 = 0.000, y0 = 0.000, z0 = 0.000, x1 = 174.125, y1 = 174.125, z0 = 174.125, dx = 1.360, dy = 1.360, dz = 1.360)
backend options: options = (fft1d:contiguous, mpi:alltoallv, decomposition:pencil, mpi:from-gpu)

Initializing model... 
Adding results writers
Results dir "/tmp/aluminum" does not exist, creating
Writing field psi to /tmp/aluminum/psi_%04d.bin
Adding initial conditions
Creating initial condition from data {"n0":0.085,"type":"constant"}
Creating initial condition from data {"Ny":6,"Nz":6,"X0":120.0,"amplitude":0.333,"radius":300.0,"rho":-0.023,"type":"seed_grid_fcc"}
Parsing SeedGridFCC from json
No valid random seed detected, using default value 0.
WARNING: no boundary conditions are set!
Applying initial conditions
Generating 36 regular seeds with radius 300.000
First increment: apply boundary conditions
Step 1 done in 0.312 s (0.218 s FFT, 0.095 s other). Simulation time: 1.000 / 10.000 (10.000 % done). ETA: 2s
Step 2 done in 0.305 s (0.212 s FFT, 0.093 s other). Simulation time: 2.000 / 10.000 (20.000 % done). ETA: 2s
Step 3 done in 0.310 s (0.217 s FFT, 0.093 s other). Simulation time: 3.000 / 10.000 (30.000 % done). ETA: 2s
Step 4 done in 0.309 s (0.215 s FFT, 0.094 s other). Simulation time: 4.000 / 10.000 (40.000 % done). ETA: 1s
Step 5 done in 0.309 s (0.214 s FFT, 0.095 s other). Simulation time: 5.000 / 10.000 (50.000 % done). ETA: 1s
Step 6 done in 0.307 s (0.213 s FFT, 0.094 s other). Simulation time: 6.000 / 10.000 (60.000 % done). ETA: 1s
Step 7 done in 0.310 s (0.216 s FFT, 0.094 s other). Simulation time: 7.000 / 10.000 (70.000 % done). ETA: 0s
Step 8 done in 0.309 s (0.214 s FFT, 0.095 s other). Simulation time: 8.000 / 10.000 (80.000 % done). ETA: 0s
Step 9 done in 0.308 s (0.215 s FFT, 0.093 s other). Simulation time: 9.000 / 10.000 (90.000 % done). ETA: 0s
Step 10 done in 0.310 s (0.217 s FFT, 0.093 s other). Simulation time: 10.000 / 10.000 (100.000 % done). ETA: 0s

Simulated 10 steps. Average times:
Step time:  0.309 s
FFT time:   0.215 s / 69.601 %
Other time: 0.094 s / 30.399 %

sha256sum:

f2ffde2ddeceb637b07b0eb9352a67747c6d9fa245781c6735cc93bfe4e3a43a  /tmp/aluminum/psi_0000.bin
ad470dc896cf51762137917cf24df5ae9875529ad84002a82de6a7c99c9d68c9  /tmp/aluminum/psi_0001.bin
d33d76f76692451f8251f5abbe3f54ab2e0440b97a3280f3f2de3e3c509bd508  /tmp/aluminum/psi_0002.bin
022b602042392f4bc86fc2fd1bd1671494550f5e3d1c9846268d562c64e46246  /tmp/aluminum/psi_0003.bin
0afbe053ce989628ee4ac31c51a22ecafbae425ef78c01e18c9d8412c1c19eea  /tmp/aluminum/psi_0004.bin
b08c7d74a8b78c0f1d352914f67bf259b2fa415092c668e81389e0011956e5b0  /tmp/aluminum/psi_0005.bin
0fbac2024490d5832cb154989d0264bbdfe026ea3679a7d7761df1529ca7a1f8  /tmp/aluminum/psi_0006.bin
52795c7d53fdeb92369e4b40cc75860fee85425580666f9f397cbd86aed72c52  /tmp/aluminum/psi_0007.bin
2236971b718988a447a3cff9ccb2fda9e9678a9db41ce0cc39465c217b672f3f  /tmp/aluminum/psi_0008.bin
2970ddd2d18025e3514457988486b910aff418b10b5d598a9fccbe02f26e6364  /tmp/aluminum/psi_0009.bin
1bd6c2f3ea3a1f3ce2c2366ea0d05431848c0d33e5c2e9e6fd72f6d6e028d057  /tmp/aluminum/psi_0010.bin

Remove files:

juajukka@espvm2m2007:/tmp/aluminum$ rm psi_0005.bin psi_0006.bin psi_0007.bin psi_0008.bin psi_0009.bin psi_0010.bin

Restart, new json is:

{
    "model": {
        "name": "aluminum",
        "params": {
            "n0": -0.085,
            "alpha": 0.20,
            "n_sol": -0.023,
            "n_vap": -1.311,
            "T_const": 700,
            "T_min": 600,
            "T_max": 800,
            "T0": 89285.0,
            "Bx": 0.817900686921996,
            "G_grid": 0.0005,
            "V_grid": 0.002,
            "x_initial": 130,
            "alpha_farTol": 0.001,
            "alpha_highOrd": 0,
            "lambda": 0.22,
            "stabP": 0.0,
            "shift_u": 1.0,
            "shift_s": 0.0,
            "p2_bar": 0.8286531831,
            "p3_bar": -0.04204863,
            "p4_bar": 0.007533,
            "q20_bar": 0.016531729105214,
            "q21_bar": 5.467,
            "q30_bar": 1.7152418049986,
            "q31_bar": 0.45,
            "q40_bar": 0.787482
        }
    },
    "Lx": 128,
    "Ly": 128,
    "Lz": 128,
    "dx": 1.3603495232,
    "dy": 1.3603495232,
    "dz": 1.3603495232,
    "origo": "corner",
    "t0": 0.0,
    "t1": 10.0,
    "dt": 1.0,
    "saveat": 1.0,
    "fields": [
        {
            "name": "psi",
            "data": "/tmp/aluminum/psi_%04d.bin"
        }
    ],
    "initial_conditions": [
        {
            "type": "from_file",
            "filename": "/tmp/aluminum/psi_0004.bin"
        }
    ],
    "simulator": {
        "result_counter": 4,
        "increment": 4
    }
}

Results:

MPI_Init(): initialized 1 processes
Reading input from file apps/aluminum_restart_1.json

Reading configuration from json file:
{
    "Lx": 128,
    "Ly": 128,
    "Lz": 128,
    "dt": 1.0,
    "dx": 1.3603495232,
    "dy": 1.3603495232,
    "dz": 1.3603495232,
    "fields": [
        {
            "data": "/tmp/aluminum/psi_%04d.bin",
            "name": "psi"
        }
    ],
    "initial_conditions": [
        {
            "filename": "/tmp/aluminum/psi_0004.bin",
            "type": "from_file"
        }
    ],
    "model": {
        "name": "aluminum",
        "params": {
            "Bx": 0.817900686921996,
            "G_grid": 0.0005,
            "T0": 89285.0,
            "T_const": 700,
            "T_max": 800,
            "T_min": 600,
            "V_grid": 0.002,
            "alpha": 0.2,
            "alpha_farTol": 0.001,
            "alpha_highOrd": 0,
            "lambda": 0.22,
            "n0": -0.085,
            "n_sol": -0.023,
            "n_vap": -1.311,
            "p2_bar": 0.8286531831,
            "p3_bar": -0.04204863,
            "p4_bar": 0.007533,
            "q20_bar": 0.016531729105214,
            "q21_bar": 5.467,
            "q30_bar": 1.7152418049986,
            "q31_bar": 0.45,
            "q40_bar": 0.787482,
            "shift_s": 0.0,
            "shift_u": 1.0,
            "stabP": 0.0,
            "x_initial": 130
        }
    },
    "origo": "corner",
    "saveat": 1.0,
    "simulator": {
        "increment": 4,
        "result_counter": 4
    },
    "t0": 0.0,
    "t1": 10.0
}

World: (Lx = 128, Ly = 128, Lz = 128, x0 = 0.000, y0 = 0.000, z0 = 0.000, x1 = 174.125, y1 = 174.125, z0 = 174.125, dx = 1.360, dy = 1.360, dz = 1.360)
backend options: options = (fft1d:contiguous, mpi:alltoallv, decomposition:pencil, mpi:from-gpu)

Initializing model... 
Adding results writers
Warning: results dir "/tmp/aluminum" already exists
Writing field psi to /tmp/aluminum/psi_%04d.bin
Adding initial conditions
Creating initial condition from data {"filename":"/tmp/aluminum/psi_0004.bin","type":"from_file"}
WARNING: no boundary conditions are set!
Applying initial conditions
Reading initial condition from file/tmp/aluminum/psi_0004.bin
Step 5 done in 0.311 s (0.219 s FFT, 0.092 s other). Simulation time: 5.000 / 10.000 (50.000 % done). ETA: 1s
Step 6 done in 0.307 s (0.215 s FFT, 0.092 s other). Simulation time: 6.000 / 10.000 (60.000 % done). ETA: 1s
Step 7 done in 0.305 s (0.212 s FFT, 0.093 s other). Simulation time: 7.000 / 10.000 (70.000 % done). ETA: 0s
Step 8 done in 0.307 s (0.215 s FFT, 0.093 s other). Simulation time: 8.000 / 10.000 (80.000 % done). ETA: 0s
Step 9 done in 0.304 s (0.210 s FFT, 0.093 s other). Simulation time: 9.000 / 10.000 (90.000 % done). ETA: 0s
Step 10 done in 0.305 s (0.212 s FFT, 0.093 s other). Simulation time: 10.000 / 10.000 (100.000 % done). ETA: 0s

Simulated 6 steps. Average times:
Step time:  0.307 s
FFT time:   0.214 s / 69.774 %
Other time: 0.093 s / 30.226 %

Checksums:

f2ffde2ddeceb637b07b0eb9352a67747c6d9fa245781c6735cc93bfe4e3a43a  /tmp/aluminum/psi_0000.bin
ad470dc896cf51762137917cf24df5ae9875529ad84002a82de6a7c99c9d68c9  /tmp/aluminum/psi_0001.bin
d33d76f76692451f8251f5abbe3f54ab2e0440b97a3280f3f2de3e3c509bd508  /tmp/aluminum/psi_0002.bin
022b602042392f4bc86fc2fd1bd1671494550f5e3d1c9846268d562c64e46246  /tmp/aluminum/psi_0003.bin
0afbe053ce989628ee4ac31c51a22ecafbae425ef78c01e18c9d8412c1c19eea  /tmp/aluminum/psi_0004.bin
b08c7d74a8b78c0f1d352914f67bf259b2fa415092c668e81389e0011956e5b0  /tmp/aluminum/psi_0005.bin
0fbac2024490d5832cb154989d0264bbdfe026ea3679a7d7761df1529ca7a1f8  /tmp/aluminum/psi_0006.bin
52795c7d53fdeb92369e4b40cc75860fee85425580666f9f397cbd86aed72c52  /tmp/aluminum/psi_0007.bin
2236971b718988a447a3cff9ccb2fda9e9678a9db41ce0cc39465c217b672f3f  /tmp/aluminum/psi_0008.bin
2970ddd2d18025e3514457988486b910aff418b10b5d598a9fccbe02f26e6364  /tmp/aluminum/psi_0009.bin
1bd6c2f3ea3a1f3ce2c2366ea0d05431848c0d33e5c2e9e6fd72f6d6e028d057  /tmp/aluminum/psi_0010.bin

Matching again. I'm not able to reproduce the problem.

ahojukka5 commented 2 months ago

I'm closing this as it looks that there is no problem at all