Re: [gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-28 Thread Mark Abraham
I plan to put some more of this kind of documentation in the upcoming User Guide, but it isn't done yet. Number of times that section was entered, the total wall time spent in that section, and the total number of processor gigacycles spent in that section, and percentage of same. Some columns

Re: [gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-28 Thread Theodore Si
Core t (s) Wall t (s)(%) Time: 2345.800 49.744 4715.7 (ns/day)(hour/ns) Performance: 69.4790.345 What does 0.345 hour/ns stand for? and the Wall time 49.77s? 于 2014/7/28 14:53, Mark Abraham 写道: I plan to put

Re: [gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-28 Thread Mark Abraham
Your run took nearly a minute, and did so at a rate that would take 0.345 hours to do a simulated nanosecond Mark On Mon, Jul 28, 2014 at 9:05 AM, Theodore Si sjyz...@gmail.com wrote: Core t (s) Wall t (s)(%) Time: 2345.800 49.744 4715.7

Re: [gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-28 Thread Theodore Si
I thought that 69.479 ns/day means I can simulate 69.479 ns per day. But if as you said, I need 0.345 hour to get a simulated nanosecond, then I can only get 0.345 * 24 = 8.28 simulated nanosecond per day? Then what does 69.479 mean? And the Core t(s)? 于 2014/7/28 15:29, Mark Abraham 写道:

Re: [gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-28 Thread Guillaume Chevrot
Hi, if you need 0.345 hour to get 1 ns, that means that you can simulate 1/0.345~2.9ns/hour, then in one day you will simulate 1/0.345*24~69.5 ns Guillaume On 07/28/2014 09:39 AM, Theodore Si wrote: I thought that 69.479 ns/day means I can simulate 69.479 ns per day. But if as you said, I

Re: [gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-28 Thread Theodore Si
Hi all, Could anyone explain all the meanings of these columns in log? I'd appreciate your help. Domain decomp. DD comm. load DD comm. bounds Send X to PME Neighbor search Comm. coord. Force Wait + Comm. F PME mesh PME wait for PP Wait + Recv. PME F NB X/F buffer ops. Write traj. Update

[gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-27 Thread Theodore Si
For example, in the following form, what does Wait + Comm. F mean? Is there a webpage that explains the forms in log file? R E A L C Y C L E A N D T I M E A C C O U N T I N G Computing: Nodes Th. Count Wall t (s) G-Cycles %

Re: [gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-27 Thread Mark Abraham
On Jul 28, 2014 4:53 AM, Theodore Si sjyz...@gmail.com wrote: For example, in the following form, what does Wait + Comm. F mean? Is there a webpage that explains the forms in log file? Unfortunately not (yet), but they correspond in a more-or-less clear way to the segments in manual figure

Re: [gmx-users] How do I get to know the meaning of the first column in log file?

2014-07-27 Thread Theodore Si
Thanks a lot! But I am still confused about other things. For instance, what do count, wall t(s) G-Cycles mean? It seems that the last column is the percentage of G-Cycles. I really hope there is a place where I can find all relative information of the log file. 于 2014/7/28 11:12, Mark