namd: problem

From: bo baker (bo.bybaker_at_gmail.com)
Date: Wed Jun 14 2006 - 12:04:47 CDT

Hello, NAMD:

I have some questions referring NAMD running and installation. The
NAMD_2.6b1_MacOSX-PPC was installed in the computer previously.
The computer was crushed. After it was repaired, I move the whole
folder of 'NAMD_2.6b1_MacOSX-PPC' into the new hard drive where is the
operation system loacted. I am not sure if this is sufficient for NAMD
to run in the new location. Do I need to re-install the program into
the
new hard drive? If so, do I have to install fftw, tcl, and BM XL C/C++
Run-Time Library again?

Here is how I did:

> ~bakerby$ cd /Applications/NAMD_2.6b1_MacOSX-PPC
Peds-HSE1401-ML1:/Applications/NAMD_2.6b1_MacOSX-PPC
>
> ~bakerby$ export DYLD_LIBRARY_PATH='/Applications/NAMD_2.6b1_MacOSX-PPC'

> ~bakerby$ /Applications/NAMD_2.6b1_MacOSX-PPC/namd2 PBR1-vm061006.conf > test.log &

Here is the error message:

> Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: Simulation config file is not accessible.
>
> Charm++ fatal error:
> FATAL ERROR: Simulation config file is not accessible.
>
I look at the files in /NAMD_2.6b1_MacOSX-PPC, the
'PBR1-vm061006.conf' file is there. Why it is not accessible?

Here is the files in the 'NAMD_2.6b1_MacOSX-PPC':

FFTW_NAMD_2.6b1_MacOSX-PPC.txt
flipdcd
PBR
lib
libibmc++.A.dylib
license.txt
log
PBR1-vm061006.conf
namd2
namdplot
notes.txt
PBRtest061006.log
opt
README.txt
par_all27_prot_lipid.inp
announce.txt
par_all27_prot_lipid.prm
charmd
charmd_faceless
test.log
charmrun
top_all27_prot_lipid.inp
common
conf
flipbinpdb

Thank you very much for your suggestions.

Bo

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