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Why lock to four processes?

April 26, 2017lock Processes

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10 Posted

Why lock to four processes?

2 Answers

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10 Posted

Gromacs in all released versions currently breaks up code to set up calculations and those to run them and the number of SMP processors is decided at setup (Grompp) not running (mdrun). MDRUN is the code running in the FAH core, so it has to have a fixed number of SMP processes. We are investigating possible options to change this.

0

Posted

Gromacs in all release versions currently breaks up code to set up calculations and those to run them and the number of SMP procs is decided at setup (Grompp) not running (mdrun). MDRUN is the code running in the FAH core, so it has to have a fixed number of SMP processes. However, this issue has now been resolved and we are working on a new core (A2) which will allow a variable number of SMP processes, depending on what’s available in the hardware (eg 8 processes on 8 core boxes).