FATAL ERROR: Couldn't open DCD file equil0.dcd: No such file or directory

From: henri mone (henrimone_at_gmail.com)
Date: Sun Sep 05 2010 - 10:16:27 CDT

Dear Namd users,

I'm running Namd (version: "NAMD_2.7b3_Linux-x86_64"). During the
equilibration step I get the error message that NAMD can't open the
equilibration DCD file [1].
The heating worked without any problems. The equilibration folder is
empty beside the the files "heat.coor", "heat.vel" "heat.xsc" and the
some standard files (pdb, psf, etc.).
Before starting the NAMD the folder does not contain any DCD file.
Before the crash NAMD creates two dcd files "equil0.dcd.BAK" and
"equil0.dcd" in this folder. Each of the files has a size of 1.9MB. I
(and NAMD) have read and write permissions in this folder and there is
plenty of free disk space available.
I searched the NAMD mailinglist and found a similar error message [0].
But there was no reply to this question :( .
I use following settings in my namd input script [2]. I tested several
changes in the option but could not find any solution.

Thank you,
Henri

---0: Mailinglist Posting
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/2927.html

---1: Error message:
$ less equil0.queError
   ------------- Processor 0 Exiting: Called CmiAbort ------------
  Reason: FATAL ERROR: Couldn't open DCD file equil0.dcd: No such file
or directory
  Charm++ fatal error:
  FATAL ERROR: Couldn't open DCD file equil0.dcd: No such file or directory
  mpiexec noticed that job rank 0 with PID 18397 on node n080210
exited on signal 15 (Terminated).

$ less equil0.out
   OPENING COORDINATE DCD FILE
   FATAL ERROR: Couldn't open DCD file equil0.dcd: No such file or directory
   WRITING COORDINATES TO DCD FILE AT STEP 41000

---2: Namd equil conf file:
coordinates protein.pdb
bincoordinates heat.coor
binvelocities heat.vel
extendedSystem heat.xsc
firsttimestep 40000
#...
# Output
outputName equil0
#restartfreq 1000
dcdfreq 1000 # = 1 ps
xstFreq 1000 # = 1 ps
outputEnergies 100
outputPressure 100
rescaleFreq 500
rescaleTemp 300
#...
numsteps 200000

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