Re: [gmx-users] Optimizing a parallel simulation

2009-10-08 Thread Mark Abraham
vivek sharma wrote: Hi There, While running a parallel MD simulation, I got following message while playing with parameters: NOTE 3 [file aminoacids.dat, line 1]: The optimal PME mesh load for parallel simulations is below 0.5 and for highly parallel simulations between 0.25 and 0.33,

Re: [gmx-users] Optimizing a parallel simulation

2009-10-08 Thread vivek sharma
Hi Mark, Thanks for your quick response. 2009/10/8 Mark Abraham mark.abra...@anu.edu.au vivek sharma wrote: Hi There, While running a parallel MD simulation, I got following message while playing with parameters: NOTE 3 [file aminoacids.dat, line 1]: The optimal PME mesh load for

Re: [gmx-users] Optimizing a parallel simulation

2009-10-08 Thread Mark Abraham
vivek sharma wrote: Hi Mark, Thanks for your quick response. 2009/10/8 Mark Abraham mark.abra...@anu.edu.au mailto:mark.abra...@anu.edu.au vivek sharma wrote: Hi There, While running a parallel MD simulation, I got following message while playing with parameters:

[gmx-users] Optimizing a parallel simulation

2009-10-07 Thread vivek sharma
Hi There, While running a parallel MD simulation, I got following message while playing with parameters: NOTE 3 [file aminoacids.dat, line 1]: The optimal PME mesh load for parallel simulations is below 0.5 and for highly parallel simulations between 0.25 and 0.33, for higher performance,