How to Start Cassandra

wnguyen1
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4 years 8 months ago #626 by wnguyen1

Hello everyone,
I am totally new to Cassandra. I have read user manual but I still don't know how to start the software. Please give me some detail instruction at first so I can learn it later. I try to find density, heat capacity, viscosity of pure and mixture of amine + water. In addition, I want to find the solubility of CO2 in the mixture, kinetic of CO2 reacts with the mixture. Please help new person. Thank you so much.

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emarin
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4 years 8 months ago #627 by emarin

Hello!

Cassandra is a Monte Carlo code whose current version could help you to calculate densities, excess heat capacities and solubilities. A future release might help you to get reaction equilibrium. However, since the Monte Carlo method does not include any dynamics, you cannot compute viscosities.

Please let us know specific questions about setting up simulations. You could start reading Chapter 3 of the manual and going over workshop materials that you can find here: cassandra.nd.edu/index.php/documentation .

Regards.

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wnguyen1
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4 years 8 months ago #628 by wnguyen1

Thank you so much for very fast helping. Actually, I have read the manual but I did not read the tutorial. By the way, can you give me instruction to how to install Cassandra on my Ubuntu please? Thank you so much

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emarin
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4 years 8 months ago - 4 years 8 months ago #629 by emarin

Depending on which compiler and compilation options you want to use, please pick one of the commands displayed in the attached image. Your working directory should be the Src/ directory.

Each of these will create a .exe file.

Attachments:

Last Edit: 4 years 8 months ago by emarin.

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wnguyen1
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4 years 8 months ago #630 by wnguyen1

Thank you. I have no idea which one should I use. My os is Ubuntu 18 so not sure if it can run Cassandra. You can send me detail instruction for any of compiler that you think is good. Thank you

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emarin
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4 years 8 months ago #631 by emarin

If you or your institution have a license for the Intel compiler, I'd suggest that. If not, Gfortran is fine too.

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