Hi all,
I am new to amber. I have just compiled amber8 on the cluster myself, i
think i compiled it successfully, and I did all the tests, both serial and
parallel. However, when I tried to run some of my own jobs, I had such error
message:
*************************************************************************************
/home/usr/kailee/mpich-1.2.7p1/bin/mpirun: line 1:
/home/usr/kailee/amber8/exe/sander: cannot execute binary file
*************************************************************************************
And this is my run script (named as script_test):
*************************************************************************************
#!/bin/bash
export AMBERHOME=/home/usr/kailee/amber8
export MPICH_HOME=/home/usr/kailee/mpich-1.2.7p1
export DO_PARALLEL="$MPICH_HOME/bin/mpirun -np 4"
$DO_PARALLEL $AMBERHOME/exe/sander -O -i test.in -o test.out -p model.prmtop-c
model.inpcrd -r test.rst -x test.mdcrd
**************************************************************************************
And then I used "qsub script_test" to submit my job.
Have you encountered similar problem before? how to solve this? thank you
all for your help.
Kailee
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Received on Thu Dec 14 2006 - 16:48:24 PST
