those files don't get openened until the first exchange, so that part
might be normal.
is there any reason that they cannot be opened? can you send your whole
script?
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling.stonybrook.edu
===================================================================
Jordi Rodrigo wrote:
>Hi all,
>
>I'd like to submit to the forum the current case. We are trying to run
>an MPI
>sander replica exchange implementation on an IBM SP4/AIX.
>
>After compilation (using cpp precompilator, mpxlf90_r, xlc) with -DREM
>that
>apparently went to a right end, we have tried to send the REM test case
>with
>the command:
>
>mpirun -np 4 $AMBERHOME/exe/sander -O -rem 1 -ng 2 -i rem.in -c md14.x
>-o
>mdout.rem -p prmtop -remlog rem.log
>
>We had the following result. The job begins and the mdout files have the
>history of a MD about 100 steps long (as expected from the input file)
>but stops at
>the first attempt to do the exchange. The rem.log is empty and the job
>stops
>with the following message:
>
> Unit 6 Error on OPEN: mdout.rem.001
>
> Unit 6 Error on OPEN: mdout.rem.000
>
>This is very strange. Does somebody have an idea?
>
>Thanks in advance,
>
>Jordi Rodrigo and Gilles Marcou
>-----------------------------------------------------------------------
>The AMBER Mail Reflector
>To post, send mail to amber.scripps.edu
>To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Jan 17 2005 - 14:52:59 PST
