Re: [AMBER] How to know whether the sander is running parallel

From: <tdo.chem.ucsb.edu>
Date: Fri, 05 Aug 2011 09:47:39 -0700

Check section 3 of your output.


Quoting Aimin <aimin.guo.csun.edu>:

> 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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-- 
Thanh D. Do
Department of Chemistry & Biochemistry
University of California Santa Barbara
Santa Barbara, California, 93106
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Received on Fri Aug 05 2011 - 10:00:03 PDT
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