[Apbs-users] Iterations & Parallelization
Biomolecular electrostatics software
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From: Georgi P. <Geo...@em...> - 2009-04-24 13:08:38
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Dear all, I have a question regarding the number of iterations performed during an APBS run. Is there a way to change the default value of 100 (itmax) from the input or one should change it in the source and recompile again? And I am wondering why 100 is chosen for a default value. My second question concerns running APBS on parallel. Apart from choosing the mg-para option, is it possible to run on parallel with mg-manual or mg-auto? I mean would it make for example to run on 8 processors using mg-manual? And if yes, how does one define the grid points for each processor? Thank you, Georgi |