AMBER Archive (2009)
Subject: [AMBER] -np not 2^x a problem w/ sander???

From: Dean Cuebas (deancuebas_at_missouristate.edu)
Date: Fri Nov 06 2009 - 13:27:48 CST

Previous message: Eric Pettersen: "Re: [AMBER] RESP using antechamber with Se atom"
In reply to: kureeckal ramesh: "[AMBER] error in kclust of MMTB_tool set"
Next in thread: Ross Walker: "RE: [AMBER] -np not 2^x a problem w/ sander???"
Next in thread: Dean Cuebas: "[AMBER] -np not 2^x a problem w/ sander??? update"
Reply: Ross Walker: "RE: [AMBER] -np not 2^x a problem w/ sander???"
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Dear amber people,

The place I'm running sander.MPI limits np to 48.

I'm seeing a big performance hit with np 48 compared to np 32.

I don't see this performance hit with pmemd. Is this normal?

I'm doing SGLD, so I'm using sander.MPI

Thanks very much!!!

Dean

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Previous message: Eric Pettersen: "Re: [AMBER] RESP using antechamber with Se atom"
In reply to: kureeckal ramesh: "[AMBER] error in kclust of MMTB_tool set"
Next in thread: Ross Walker: "RE: [AMBER] -np not 2^x a problem w/ sander???"
Next in thread: Dean Cuebas: "[AMBER] -np not 2^x a problem w/ sander??? update"
Reply: Ross Walker: "RE: [AMBER] -np not 2^x a problem w/ sander???"
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

AMBER Archive (2009)Subject: [AMBER] -np not 2^x a problem w/ sander???