Ragothaman Yennamalli wrote:
Dear Mark,
Thanks for the mail.
Since there's three different usages of -np you'd
need to be more
precise to make a good description of your problem.
I was changing the -np option in mdrun and grompp.
The symptoms you observe make sense if $NSLOTS==1. Since
all three -np
flags need the same value after them, you should use the
same variable
each time. You should verify that the "echo" line
tells you that has
$NSLOTS==4 like you need.
Yes. I checked by typing echo $NSLOTS and it says 4.
It's the batch environment that matters, not your terminal environment.
As I said last time, you'd need to look at the output from the batch
script to verify its environment.
So, I changed all the three -np option to -np $NSLOTS..Still the same error.
That's not possible for any value of $NSLOTS.
For troubleshooting, a (bash) script approach like
command="mpirun -np $NSLOTS <insert the rest of your command line here>"
echo $command
`$command`
will allow you to see in the standard output what you're actually doing,
and so make a better description of the situation when emailing the list.
Mark
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