[AMBER] GPGPU AMBER11 question

From: Carlos P Sosa <cpsosa.msi.umn.edu>
Date: Thu, 25 Aug 2011 14:27:44 -0500 (CDT)

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



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Aug 25 2011 - 12:30:03 PDT
Custom Search