AW: CUDA error in cuda_check_local_progress

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Apr 17 2014 - 03:21:44 CDT

What GPUs are that? This error occurs for example if your cutoff or
pairlistdist, etc. are too large to fit the GPUs memory and stuff. Whats the
output of "nvidia-smi -q". Maybe there are multiple GPUs where one is only
for display and therefore hasn't enough memory. Try setting +devices to
select the GPU ids manually and see if it works with one GPU separately.

 

 

Norman Geist.

 

Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag
von Abhishek TYAGI
Gesendet: Donnerstag, 17. April 2014 09:41
An: namd-l_at_ks.uiuc.edu
Betreff: namd-l: CUDA error in cuda_check_local_progress

 

Hi,

 

I am running a simulation for graphene and dna system. While running in my
CPU their is no error, but while running on GPU Cluster (Nvidia, Cuda) I am
using NAMD tool available on website
(NAMD_2.9_Linux-x86_64-multicore-CUDA.tar.gz). The following error appears
all the time. I tried to change timesteps, frequencies and other things too
but i really dont understand what to do in this case.

 

I run the command for minimization but it is failed everytime:

% charmrun namd2 +idlepoll +p4 eq1.namd > eq1.log &

 

 

------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: CUDA error in cuda_check_local_progress on Pe 0 (gpu10
device 0): unspecified launch failure

Charm++ fatal error:
FATAL ERROR: CUDA error in cuda_check_local_progress on Pe 0 (gpu10 device
0): unspecified launch failure

 

 

 

The eq1.namd conf file is as follows:

#############################################################
## JOB DESCRIPTION ##
#############################################################

# Minimization and Equilibration of
# COMMENT ON YOUR SYSTEM HERE

#############################################################
## ADJUSTABLE PARAMETERS ##
#############################################################

structure ionized.psf
coordinates ionized.pdb

set temperature 298
set outputname eq1

firsttimestep 0

#############################################################
## SIMULATION PARAMETERS ##
#############################################################

# Input
paraTypeCharmm on
parameters par_all27_na.prm
parameters par_graphene.prm
temperature $temperature

# Force-Field Parameters
exclude scaled1-4
1-4scaling 1.0
cutoff 12.
switching on
switchdist 10.
pairlistdist 13.5

# Integrator Parameters
timestep 0.5
rigidBonds all
nonbondedFreq 2
fullElectFrequency 4
stepspercycle 10

# Constant Temperature Control
langevin off
langevinDamping 5
langevinTemp $temperature
langevinHydrogen off

# Output
outputName $outputname

restartfreq 500 ;# 500steps = every 1ps
dcdfreq 300
outputEnergies 100
outputPressure 100

#############################################################
## PBC PARAMETERS ##
#############################################################

# Periodic Boundary Conditions
cellBasisVector1 40.0 0.0 0.0
cellBasisVector2 0.0 40.0 0.0
cellBasisVector3 0.0 0.0 30.0
cellOrigin 0.0 0.0 0.0

#############################################################
## EXECUTION SCRIPT ##
#############################################################

# Minimization
minimize 100000
reinitvels $temperature

run 50000

 

Please suggest me how to resolve this issue.

Thanks in advance

 

Abhishek 

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