[SCore-users-jp] [SCore-users] charmm
Nick Birkett
nrcb @ streamline-computing.com
2002年 3月 15日 (金) 02:39:51 JST
Has anybody had experience of using charmm on Score ?
Charmm uses standard input (interactive mode) usually like
mpirun -np 8 ./charmm < input.inp
I have tried using :
scrun -nodes=2 scatter == /users/jonh/c27b1/exec/gnu/charmm < scalar.inp
to use this but it falls over.
Maybe I need a corresponding gather ? Not sure how to do this.
Any help appeciated.
Thanks,
Nick
--
Dr Nick Birkett
Technical Director
Streamline Computing Ltd
Unit 19, Barclays Venture Centre,
Sir William Lyons Road,
Coventry CV4 7EZ
Fax : +44 (0)2476 323378
Mobile: +44 (0)7890 246662
Email : nrcb @ streamline-computing.com
Web : http://www.streamline-computing.com
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