Author Topic: RASPA 2.0 vs RASPA 2.0.45  (Read 35 times)

rshukre

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RASPA 2.0 vs RASPA 2.0.45
« on: September 29, 2021, 08:46:07 PM »
Hello Dr. Dubbeldam,

I have been running adsorption simulations in RASPA 2.0 using the High Performance Computing Center (HPCC) of my University. I recently installed RASPA 2.0.45 on HPCC and some of my current simulations crashed due to wall time limit on the cluster. I always use ContinueAfterCrash option in the simulation.input file, so that the simulation continues after the point it was crashed. However, it looks like RASPA 2.0.45 does not recognize crash file of RASPA 2.0 and the simulation starts again from the beginning. Is this to expected when running files from an older version on the latest version ?

Regards,
Rajasi