Pyrosim forum9/7/2023 ![]() ![]() FDS models can predict smoke, temperature, carbon monoxide, and other substances during fires. So could you please explain me more about it? How is it related to the GW calculations? And by setting such a parameter, what is calculated.PyroSim is a graphical user interface for the Fire Dynamics Simulator (FDS). From the description of this variable, this parameter refers "The dimension in Reciprocal Space of the response function". So I wonder from your previous experiences, if there is an empirical setting of these parameters, or starting point for the convergence test.īesides, I don't understand the parameter "NGsBlkXp" very well. If understand correctly, the test should be done by varying the parameters, which will take lots of time. However, as to the parameters "EXXRLvcs" and "NGsBlkXp", from the manual, the only information I could get is that these two parameters need to be tested for the convergence. I will re-compile yambo as you instructed. I will appreciate it if anyone could give me any hints about the problem. I also attached the relevant files(as there is the limit about the file size, I deleted the irrelevant part of the report file). I am using yambo-4.3.3 compiled with intel compiler 2018, and yambo calculation is based on Quantum ESPRESSO database. And in the report file "r_em1d_ppa_HF_and_locXC_gw0", there is no error report. The memory assigned to each core is 30Gb, but still the calculation crashed with such error. It might due to not-enough memory for the calculation. Intel(R) MPI Library troubleshooting guide: = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES ![]() However, the calculations always crashed with the error shown below: I am using yambo to do wannier calculations on periodic system.
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