Hi,
I cannot find the word "nodes" in the mdout file. The things I found are as follows:
| Memory Use Allocated
| Real 16985
| Hollerith 934
| Integer 36286
| Max Pairs 1
| nblistReal 0
| nblist Int 0
| Total 278 kbytes
--------------------------------------------------------------------------------
5. TIMINGS
--------------------------------------------------------------------------------
| Calc gb radii 7924.23 (20.84% of Gen B)
| Calc gb diag 13174.29 (34.65% of Gen B)
| Calc gb off-diag 16920.62 (44.50% of Gen B)
| Other 2.78 ( 0.01% of Gen B)
| Gen Born time 38021.92 (100.0% of Nonbo)
| Nonbond force 38022.19 (97.91% of Force)
| Bond/Angle/Dihedral 808.53 ( 2.08% of Force)
| Other 4.43 ( 0.01% of Force)
| Force time 38835.15 (99.35% of Runmd)
| Shake time 44.51 ( 0.11% of Runmd)
| Verlet update time 209.15 ( 0.54% of Runmd)
| Runmd Time 39090.40 (100.0% of Total)
| Total time 39090.41 (100.0% of ALL )
| Highest rstack allocated: 0
| Highest istack allocated: 0
| Job began at 15:36:37.273 on 08/01/2011
| Setup done at 15:36:37.282 on 08/01/2011
| Run done at 02:28:07.681 on 08/02/2011
| wallclock() was called60005011 times
Aimin
________________________________________
From: David Case [dacase.rci.rutgers.edu]
Sent: Thursday, August 04, 2011 7:02 PM
To: AMBER Mailing List
Subject: Re: [AMBER] How to know whether the sander is running parallel
On Aug 4, 2011, at 7:50 PM, Aimin <aimin.guo.csun.edu> wrote:
>> From the output file, how can we know whether the sander is running parallel? Or by using which command, can we know the sander is running parallel?
Look for the word "nodes" in the mdout file.
...dac
>
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Received on Fri Aug 05 2011 - 10:00:02 PDT
