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piclas-framework / piclas

PICLas is a parallel, three-dimensional PIC-DSMC solver developed cooperatively by the Institute of Space Systems, Institute of Aerodynamics and Gas Dynamics at the University of Stuttgart and the spin-off boltzplatz. PICLas is a flexible particle-based plasma simulation suite.
https://piclas.readthedocs.io
GNU General Public License v3.0
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Part-Species1-HeatOfFormation_K #2

Closed lkampoli closed 3 years ago

lkampoli commented 4 years ago

Hello, I successfully installed and tested:

with ifort version 18.0.2.

Now, I'm trying to run some simulation with piclas, concerning the DSMC part. Once in /ini/DSMCTest/ I successfully generated the mesh with hopr

hopr preproc.ini

and then just run

piclas DSMCTest.ini DSMCSpecies.ini

no matter if I run serial or parallel, I get the following error:

Program abort caused on Proc 0 in File : src/readintools/readintools.f90 Line 1243

This file was compiled at May 21 2020 11:10:45 Message: Required option 'Part-Species1-HeatOfFormation_K' not set in parameter file and has no default value.

Nevertheless, if I manually add, for example:

Part-Species1-HeatOfFormation_K=0. Part-Species2-HeatOfFormation_K=0.

in DSMCSpecies.ini it continues, until the next error:

Program abort caused on Proc 0 in File : src/particles/dsmc/dsmc_chemical_init.f90 Line 390 This file was compiled at May 21 2020 11:12:38 Message: Dissociation - Error in Definition: Non-reacting partner has to remain second product (/1,2,3/) ReacNbr: 2 See TEst_ERRORS_000000.out for more details

Setting:

Particles-DSMC-CollisMode=1 or Particles-DSMC-CollisMode=2 it works.

Also, I acknowledge the previous issue reported by fsimonis:

-- Install configuration: "RelWithDebInfo" CMake Error at cmake_install.cmake:41 (file): file INSTALL cannot find "/.../.../bin/libpiclasshared": No such file or directory.

I also get this.

Thank you, Kind regards, Lorenzo Campoli

scopplestone commented 4 years ago

Hello Lorenzo,

unfortunately, the complete ini folder and all test-cases are deprecated and need to be revised.

A working DSMC test-cases can be found under ./regressioncheck/checks/CHE_DSMC/cube. More examples are given in ./regressioncheck/checks/CHE_DSMC/, however, multiple options may be given for different parameters that are used by the the nightly continuous integration scheme of the code and you will have to choose one option if you try to execute the test-case with piclas as it only allows one option per parameter (e.g. Particles-RadialWeighting=F,T in the test-case BC_PorousBC_2DAxi). Note, that the compiler flags for the test-cases are defined in ./regressioncheck/checks/CHE_DSMC/builds.ini.

Kind regards Stephen Copplestone

lkampoli commented 4 years ago

Thank you Stephen!

It turned out that I was looking at the wrong place! Indeed, would be probably helpful to have a folder called "example" or "tutorial", as well as corresponding documentation. I see that this is a WIP.

I don't completely understand all you wrote, since I'm just starting to read the code but what you mean by "the compiler flags for the test-cases are defined in ./regressioncheck/checks/CHE_DSMC/builds.ini" is that if I compiled for example with PICLAS_TIMEDISCMETHOD=RK4, and try to run something in CHE_DSMC, I will get an error.

Kind regards, Lorenzo Campoli

scopplestone commented 4 years ago

if I compiled for example with PICLAS_TIMEDISCMETHOD=RK4, and try to run something in CHE_DSMC, I will get an error.

yes, your are correct, that is exactly what I meant. Those test-cases require PICLAS_TIMEDISCMETHOD=DSMC.