---------- Forwarded message ----------
From: Subrata Paul <paul.subrata34.gmail.com>
Date: Mon, Jul 21, 2014 at 7:37 PM
Subject: error in md simulation in pmemd.cuda.MPI
To: AMBER Mailing List <amber.ambermd.org>
Cc: champak.convergesystem.co.in, numol.convergesystem.co.in
Dear Sir/madam
WE HAVE RUN THE FOLLOWING COMMAND TO RUN AMBER12 SIMULATON USING
pmemd.cuda.MPI FOR TWO NVIDIA K20M GPU. BUT WE GETTING FOLLOWING ERROR
in NO2
#export AMBERHOME=/opt/testamber/amber12/:$AMBERHOME
#export DO_PARALLEL="mpirun -np 3"
#mpirun -np 3 /opt/testamber/amber12/bin/pmemd.cuda.MPI -O -i density-eqm.in
-o density-eqm.out -p peptide-wat.prmtop -c heat-final-300K-0t.rst -r
density-eqm.rst -x density-eqm.mdcrd
NO 2: ERROR
Currently only GPU SM Revisions 1.3 and 2.X are supported.
Currently only GPU SM Revisions 1.3 and 2.X are supported.
Currently only GPU SM Revisions 1.3 and 2.X are supported.
===========================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 1088 RUNNING AT localhost.localdomain
= EXIT CODE: 255
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
Nvidia GPU K20m CARD DETAILS
Detected 2 CUDA Capable device(s)
Device 0: "Tesla K20m"
CUDA Driver Version / Runtime Version
6.0 / 6.0
CUDA Capability Major/Minor version number: 3.5
Total amount of global memory:
4800 MBytes (5032706048 bytes)
(13) Multiprocessors, (192) CUDA Cores/MP: 2496 CUDA Cores
GPU Clock rate:
706 MHz (0.71 GHz)
Memory Clock rate:
2600 Mhz
Device 1: "Tesla K20m"
CUDA Driver Version / Runtime Version
6.0 / 6.0
CUDA Capability Major/Minor version number: 3.5
Total amount of global memory:
4800 MBytes (5032706048 bytes)
(13) Multiprocessors, (192) CUDA Cores/MP: 2496 CUDA Cores
GPU Clock rate:
706 MHz (0.71 GHz)
deviceQuery, CUDA Driver = CUDART, CUDA Driver Version = 6.0, CUDA Runtime
Version = 6.0,
NumDevs = 2, Device0 = Tesla K20m, Device1 = Tesla K20m
Result = PASS
we have attached the error and device details in the attached file.
please suggest some solution .
--
*With Best RegardsSubrata PhD StudentDept of Chemistry.IIT G*
--
*With Best RegardsSubrata PhD StudentDept of Chemistry.IIT G*
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Received on Mon Jul 21 2014 - 07:30:03 PDT
