Re: [AMBER] GPGPU AMBER11 question

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 25 Aug 2011 20:19:34 -0700

Hi Carlos,

This is interesting. Thanks for figuring this out. I believe you are the
first person to test the GPU implementation with Intel MPI. We have only
tested with MPICH2 and MVAPICH2 previously. I'd be interested to know how
well it performs.

Do you know if Intel MPI supports GPU Direct?

All the best
Ross

> -----Original Message-----
> From: Carlos P Sosa [mailto:cpsosa.msi.umn.edu]
> Sent: Thursday, August 25, 2011 12:28 PM
> To: amber.ambermd.org
> Subject: [AMBER] GPGPU AMBER11 question
>
>
> Potential solution:
>
> The issue appears to be between Intel MPI and CUDA 3.2
>
> The following env. variable solves the crash:
>
> I_MPI_FABRICS=shm:ofa
>
> carlos p sosa
>
>
> Hello,
>
> I just built PMEMD for GPGPUs according to (http://ambermd.org/gpus/),
> I
> used the Intel MPI version (intel/impi/4.0.1.007). Then I tested it
> with
> the standard jac benchmark without vlimit
>
> short md, jac, power 2 FFT
> &cntrl
> ntx=7, irest=1,
> ntc=2, ntf=2, tol=0.0000001,
> nstlim=1000,
> ntpr=5, ntwr=10,
> dt=0.001,
> cut=9.,
> ntt=0, temp0=300.,
> /
> &ewald
> nfft1=64,nfft2=64,nfft3=64,
> /
>
> Has anybody seen this problem? The build ends successfully. I am
> using
> PBS with 2 nodes. Did I forget any patches?
>
> [0:node037] rtc_register failed 196608 [0] error(0x30000): unknown
> error
>
> Assertion failed in file ../../dapl_module_send.c at line 4711: 0
> internal ABORT - process 0
> rank 0 in job 1 node037_43404 caused collective abort of all ranks
> exit status of rank 0: killed by signal 9
>
>
>
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Received on Thu Aug 25 2011 - 20:30:02 PDT
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