[FLASH-USERS] Negative 3T Internal Energies

[Jonas Kuhlke]

Hi Flash Users,


I'm currently trying simulated Laser shock compression of polyethylene targets using LaserSlab. For the EOS tables I have converted SESAME tables into the IONMIX4 format using opacplot2 (https://github.com/flash-center/opacplot2) and this works great for other target materials like polystyrene, but not for PE for some reason. The error message given is 'DRIVER_ABORT: [hy_uhd_unsplitUpdateMultiTemp] Negative 3T internal energy, CHECK LOG'.

I've noticed from mail archive, that I'm not the only one with this problem and I tried the proposed solutions there. Most of the time this seems to be related to some numerical instability, but I'm not sure if this is the case here, because the simulation crashes in the first time step (I think). Also PS works and PE doesn't with the same parameters (except material specific ones).

The log file says:

[ 05-06-2024  16:13:53.033 ] WARNING after gc filling: min. unk(ENER_VAR)=-371477695.1070602 PE=0 block=2 type=2
 [ 05-06-2024  16:13:53.033 ] WARNING after gc filling: min. unk(EINT_VAR)=-371477695.1070602 PE=0 block=2 type=2
 [ 05-06-2024  16:13:53.033 ] WARNING after gc filling: min. unk(ENER_VAR)=-371477695.1070602 PE=0 block=4 type=2
 [ 05-06-2024  16:13:53.034 ] WARNING after gc filling: min. unk(EINT_VAR)=-371477695.1070602 PE=0 block=4 type=2

This makes me think something is wrong with the spatial grid, boundary conditions or my IONMIX EOS for PE. Has someone ran into similar issues or knows a way to verify my EOS tables?

Also this is my setup command:
./setup -auto LaserSlab -1d -nxb=16 +hdf5typeio \ species=cham,targ +mtmmmt +laser +uhd3t \ -parfile=PE_1D.par

Kind regards,
Jonas


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