AMBER Archive (2001)

Subject: a funny problem about output for sander_classic

From: Shixiang Yan (sy8_at_SCIRES.ACF.nyu.edu)
Date: Tue Sep 11 2001 - 16:12:13 CDT

i encoutered a funny problem that the sander_classic
doesn't output the traj for me, even i got the output file, but it is
nothing in the file. i do have the right script to run the program, i
think... it is something like

sander_classic -O -i temp.in -o temp.out -c temp.crd -r temp.restrt -p
temp.top -x temp.traj

and ntwx = 250 and ntwr = 250 and ntpr = 100, the ntwxm is default for no
limit

the temp.traj was outputed but only with one empty line

i am using mpi to run on a 2 cpu octane... i never had this problem
before, i was wondering what could go wrong...

thanks a lot... frank