AMBER Archive (2009)

Subject: [AMBER] Error in using Amber

From: sri noraima othman (aimaothman_at_gmail.com)
Date: Wed Feb 25 2009 - 21:27:29 CST

Dear Amber experts,

I am test sander.MPI using amber9 in SGI cluster.
I tried the command below and I got the error output further blow.

I have no idea how to fix this matter.
Could anyone share your idea?

 mpirun -stats cl1n001,cl1n002,cl1n003,cl1n004 8
/usr/local/amber9/exe/sander.MPI -O -i
/home/amberadm/Amber/polyAT_gb_init_min.in
-o /home/amberadm/Amber/polyAT.out -p /home/amberadm/Amber/polyAT_vac.prmtop
-c /home/amberadm/Amber/polyAT_vac.inpcrd -x
/home/amberadm/Amber/polyAT_gb_init_min.crd
-e /home/amberadm/Amber/polyAT_gb_init_min.en -inf
/home/amberadm/Amber/polyAT_gb_init_min_info.info
-r /home/amberadm/Amber/polyAT_gb_init_min.rst

Error: Unit 6 Error on OPEN: /home/amberadm/Amber/polyAT.out

That I need to manually create output file or just let the command do that?

Waiting for your reply.

Thank you.
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