[email protected] wrote:
Perhaps assigning the result of this to a variable and printing it
before executing it would help confirm that -nosum really was there.
I am not sure what you mean... the while line as a variable? I'm pretty
sure that -nosum is there.
I meant to suggest including in the script
command="mpirun mdrun -youroptions"
print $command
`$command`
or similar. Then the output can tell you what the state of the
environment was when the command was issued, which can help you
troubleshoot things.
Mark
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