Charm++ parallel programming system

[takuro <udagawa.t.aa AT m.titech.ac.jp>]

Hi,

I'd like to use projections and analyze the performance of NAMD2.8.
After runnning NAMD and tried to use projection, I got following error and projections was closed.

>../projections/bin/projections namd2.prj.sts
Found 11 log files
Found 11 sum files
[1] Token read = [0+2147483647] is impossible as the count is larger than the total count of 35106

I downloaded projections from the git repository and ran on my desktop PC running ubuntu 10.10.
Could anyone give advice about this problem?

Building and compiling procedure of Charm++ and NAMD was below.

> cd NAMD_2.8/charm-6.3.2
> ./build charm++ net-linux-x86_64 gcc ibverbs smp -j16 --with-production --enable-tracing
> cd ..
>./config Linux-x86_64-g++ --charm-arch net-linux-x86_64-ibverbs-smp-gcc
> cd Linux-x86_64-g++
> make
> make projections
> make summary

The scripts and NAMD configuration file were bellow

throw_job.sh:

#!/bin/sh

~/NAMD_2.8/charm-6.3.2/net-linux-x86_64-ibverbs-smp-gcc/bin/charmrun +p11 ++ppn 11 ++mpiexec ++remote-shell ~/mympiexec/mympiexec.sh ++verbose ~/NAMD_2.8/Linux-x86_64-g++/namd2.prj +logsize 10000000 +traceroot prj ~/NAMD_projection/apoa1.namd > output.log

mympiexec.sh:

exec mpiexec -hostfile hostfile.dat $*

apoa1.namd:

cellBasisVector1     108.8612 0.0 0.0
cellBasisVector2     0.0 108.8612 0.0
cellBasisVector3     0.0 0.0 77.758
cellOrigin           0.0 0.0 0.0

coordinates          apoa1.pdb
temperature          300
seed                 74269

switching            on
switchdist           10
cutoff               12
pairlistdist         13.5
margin               0
stepspercycle        20

PME                  on
PMEGridSizeX         108
PMEGridSizeY         108
PMEGridSizeZ         80

structure            apoa1.psf
parameters           par_all22_prot_lipid.xplor
parameters           par_all22_popc.xplor
exclude              scaled1-4
1-4scaling           1.0

timestep             1.0
fullElectFrequency   4

numsteps             500
outputtiming         100

outputname           /usr/tmp/apoa1-out

Thanks,

Takuro Udagawa